Difference between revisions of "Template:Infobox drug/testcases5"

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<pre>
+
{{Drugbox/testcases/navbox}}
drugbox_verifiedfields=ChemSpiderID|DrugBank|UNII
+
==Drugbank==
|ChEMBL|ChEBI|KEGG|StdInChI|StdInChIKey|CAS_number
+
:URl change 2021-01-27
 +
:{{t links|Infobox drug/formatDrugBank/sandbox}}
 +
:{{t links|DrugBank/sandbox}}
 +
 
 +
==UNII==
 +
:Dec 2020: talk [https://en.wikipedia.org/w/index.php?title=Template_talk:Infobox_drug&type=revision&diff=994506680&oldid=993712202&diffmode=source]
 +
[[Aspirin]] R16CO5Y76E
 +
:{{t links|Infobox drug/formatUNII}}
 +
 
 +
:{{Infobox drug/formatUNII|localValue=R16CO5Y76E}}
 +
 
 +
;sandbox
 +
:{{Infobox drug/formatUNII/sandbox|localValue=R16CO5Y76E}}
 +
 
 +
==PDB ligand==
 +
:Oct 2020, [[Template_talk:Infobox_drug#PDB]]
 +
{{testcase table
 +
| drug_name        = [[Valganciclovir]]
 +
| image = Valganciclovir structure.svg
 +
 
 +
<!-- Clinical data -->
 +
 
 +
<!-- Identifiers -->
 +
| index2_label = [test]
 +
| CAS_number = 175865-60-8
 +
| CAS_supplemental  =
 +
| PubChem = 135413535
 +
| IUPHAR_ligand = 4716
 +
| DrugBank = DB01610
 +
| ChemSpiderID = 57721
 +
| UNII = GCU97FKN3R
 +
| KEGG = D02495
 +
| KEGG2 = D03256
 +
| ChEBI            =
 +
| ChEMBL = 1201314
 +
| NIAID_ChemDB = 032967
 +
| PDB_ligand        = F9E
 +
| PDB_ligand2      = TYL
 +
 
 +
<!-- Chemical and physical data -->
 +
 
 +
| SMILES = O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
 +
| StdInChI = 1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
 +
| StdInChIKey = WPVFJKSGQUFQAP-GKAPJAKFSA-N
 +
}}
 +
 
 +
==KEGG==
 +
{{testcase table
 +
| drug_name = ID's
 +
| Verifiedfields = changed
 +
| verifiedrevid = 415028406
 +
<!--Identifiers-->
 +
| CAS_number_Ref =
 +
| CAS_number = 165800-03-3
 +
| DrugBank =
 +
| DrugBank_Ref =
 +
| ChemSpiderID_Ref =
 +
| ChemSpiderID = 390139
 +
| UNII_Ref =
 +
| UNII = ISQ9I6J12J
 +
| KEGG_Ref = {{keggcite|correct|kegg}}
 +
| KEGG = D00947
 +
| ChEMBL_Ref =
 +
| ChEMBL = 126
 +
| ChEBI_Ref =
 +
| ChEBI = 127
 +
 
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChI = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
 +
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChIKey = TYZROVQLWOKYKF-ZDUSSCGKSA-N
 +
 
 +
<!--NOT verif-->
 +
| ATC_prefix = J01
 +
| ATC_suffix = XX08
 +
| NIAID_ChemDB = 070944
 +
| PDB_ligand = ZLD
 +
|PubChem=4091
 +
|PubChemSubstance=10099
 +
}}
  
drugbox_watchedfields=IUPAC_name|molecular_weight
 
|ATC_prefix|ATC_suffix|ATC_supplemental|smiles|C|H|N|O|Cl|PubChem|melting_point|PIN
 
</pre>
 
{{Drugbox/testcases/navbox}}
 
 
== Test 1 ==
 
== Test 1 ==
 
{{testcase table
 
{{testcase table
Line 12: Line 88:
 
| Verifiedfields = changed
 
| Verifiedfields = changed
 
| verifiedrevid = 415028406
 
| verifiedrevid = 415028406
 +
<!--Identifiers-->
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
| CAS_number = 165800-03-3
 +
| DrugBank = DB00601
 +
| DrugBank_Ref = {{drugbankcite|monkey|??}}
 +
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
 +
| ChemSpiderID = 390139
 +
| UNII_Ref = {{fdacite|correct|FDA}}
 +
| UNII = ISQ9I6J12J
 +
| KEGG_Ref = {{keggcite|correct|kegg}}
 +
| KEGG = D00947
 +
| ChEMBL_Ref = {{ebicite|correct|EBI1}}
 +
| ChEMBL = 126
 +
| ChEBI_Ref = {{ebicite|correct|EBI2}}
 +
| ChEBI = 127
 +
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChI = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
 +
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChIKey = TYZROVQLWOKYKF-ZDUSSCGKSA-N
 +
 +
<!--NOT verif-->
 +
| ATC_prefix = J01
 +
| ATC_suffix = XX08
 +
| NIAID_ChemDB = 070944
 +
| PDB_ligand = ZLD
 +
|PubChem=4091
 +
|PubChemSubstance=10099
 +
}}
 +
 +
== id's indexed &lt;blank>,2 with index 0, 2==
 +
{{purge}}
 +
{{testcase table
 +
 +
| index_label=ix0
 +
| index2_label=ix2
 +
| index_comment=Some general note about index_label
 +
| index2_comment=Some general note about index2_label
 +
 +
| IUPAC_name =Aaa
 +
| IUPAC_name2 =Bbb
 +
| drug_name = ID's with index2_label
 +
 +
<!--Identifiers-->
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
| CAS_number = 165800-03-3
 +
| CAS_number2 = 165800-03-2
 +
| DrugBank = DB00601
 +
| DrugBank2 = DB00602
 +
| DrugBank_Ref = {{drugbankcite|monkey|??}}
 +
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
 +
| ChemSpiderID = 390139
 +
| ChemSpiderID2 = 390132
 +
| UNII_Ref = {{fdacite|correct|FDA}}
 +
| UNII = ISQ9I6J12J
 +
| UNII2 = ISQ9I6J122
 +
| KEGG_Ref = {{keggcite|correct|kegg}}
 +
| KEGG = D00947
 +
| KEGG2 = D00942
 +
| ChEMBL_Ref = {{ebicite|correct|EBI1}}
 +
| ChEMBL = 126
 +
| ChEMBL2 = 1262
 +
| ChEBI_Ref = {{ebicite|correct|EBI2}}
 +
| ChEBI = 127
 +
| ChEBI2 = 1272
 +
| IUPHAR_ligand = 1133
 +
| IUPHAR_ligand2 = 1132
 +
 +
| SMILES = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| SMILES2 = O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
 +
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChI = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
 +
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
 +
| StdInChIKey = TYZROVQLWOKYKF-ZDUSSCGKSA-N
 +
 +
| StdInChI2 = 1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
 +
| StdInChIKey2 = 22ZROVQLWOKYKF-ZDUSSCGKSA-2
 +
 +
<!--NOT verif-->
 +
| ATC_prefix = J01
 +
| ATC_suffix = XX08
 +
| ATC_prefix2 = J02
 +
| ATC_suffix2 = XX02
 +
 +
| NIAID_ChemDB = 070944
 +
| NIAID_ChemDB2 = 070922
 +
 +
| PDB_ligand = ZLD
 +
| PDB_ligand2 = ZLD2
 +
 +
| PubChem=4091
 +
| PubChem2=4092
 +
| PubChemSubstance=10099
 +
 +
| E_number=E111
 +
| E_number2=E222
 +
}}
 +
 +
== index-2 ==
 +
{{purge}}
 +
{{testcase table
 +
| IUPAC_name =Aaa
 +
| IUPAC_name2 =Bbb
 +
| drug_name = ID's with index2_label
  
 
<!--Identifiers-->
 
<!--Identifiers-->
 
| CAS_number_Ref = {{cascite|correct|??}}
 
| CAS_number_Ref = {{cascite|correct|??}}
 
| CAS_number = 165800-03-3
 
| CAS_number = 165800-03-3
 +
| CAS_number2 = 165800-03-2
 
| DrugBank = DB00601
 
| DrugBank = DB00601
 +
| DrugBank2 = DB00602
 
| DrugBank_Ref = {{drugbankcite|monkey|??}}
 
| DrugBank_Ref = {{drugbankcite|monkey|??}}
 
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
 
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
 
| ChemSpiderID = 390139
 
| ChemSpiderID = 390139
 +
| ChemSpiderID2 = 390132
 
| UNII_Ref = {{fdacite|correct|FDA}}
 
| UNII_Ref = {{fdacite|correct|FDA}}
 
| UNII = ISQ9I6J12J
 
| UNII = ISQ9I6J12J
 +
| UNII2 = ISQ9I6J122
 
| KEGG_Ref = {{keggcite|correct|kegg}}
 
| KEGG_Ref = {{keggcite|correct|kegg}}
 
| KEGG = D00947
 
| KEGG = D00947
 +
| KEGG2 = D00942
 
| ChEMBL_Ref = {{ebicite|correct|EBI1}}
 
| ChEMBL_Ref = {{ebicite|correct|EBI1}}
 
| ChEMBL = 126
 
| ChEMBL = 126
 +
| ChEMBL2 = 1262
 
| ChEBI_Ref = {{ebicite|correct|EBI2}}
 
| ChEBI_Ref = {{ebicite|correct|EBI2}}
 
| ChEBI = 127
 
| ChEBI = 127
 +
| ChEBI2 = 1272
 +
| IUPHAR_ligand = 1133
 +
| IUPHAR_ligand2 = 1132
  
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
+
| SMILES = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| SMILES2 = O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
 
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
 
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
 
| StdInChI = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
 
| StdInChI = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
Line 35: Line 226:
 
| StdInChIKey = TYZROVQLWOKYKF-ZDUSSCGKSA-N
 
| StdInChIKey = TYZROVQLWOKYKF-ZDUSSCGKSA-N
  
<!--NOT verif-xx->
+
| StdInChI2 = 1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
 +
| StdInChIKey2 = 22ZROVQLWOKYKF-ZDUSSCGKSA-2
 +
 
 +
<!--NOT verif-->
 +
| ATC_prefix = J01
 +
| ATC_suffix = XX08
 +
| ATC_prefix2 = J02
 +
| ATC_suffix2 = XX02
 +
 
 +
| NIAID_ChemDB = 070944
 +
| NIAID_ChemDB2 = 070922
 +
 
 +
| PDB_ligand = ZLD
 +
| PDB_ligand2 = ZLD2
 +
 
 +
| PubChem=4091
 +
| PubChem2=4092
 +
| PubChemSubstance=10099
 +
 
 +
| E_number=E111
 +
| E_number2=E222
 +
}}
 +
 
 +
== index-2 only ==
 +
{{purge}}
 +
{{testcase table
 +
| IUPAC_name2 =Bbb
 +
| drug_name = ID's with index2_label
 +
| index2_label=Indx2
 +
<!--Identifiers-->
 +
| CAS_number2 = 165800-03-2
 +
| DrugBank2 = DB00602
 +
| ChemSpiderID2 = 390132
 +
| UNII2 = ISQ9I6J122
 +
| KEGG2 = D00942
 +
| ChEMBL2 = 1262
 +
| ChEBI2 = 1272
 +
| IUPHAR_ligand2 = 1132
 +
 
 +
| SMILES2 = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
 +
| StdInChI2 = 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
 +
| StdInChIKey2 = TYZROVQLWOKYKF-ZDUSSCGKSA-2
 +
 
 +
<!--NOT verif-->
 +
| ATC_prefix2 = J01
 +
| ATC_suffix2 = XX08
 +
| NIAID_ChemDB2 = 070942
 +
| PDB_ligand2 = ZLD2
 +
| PubChem2=4092
 +
 
 +
}}
 +
 
 +
==Linalool==
 +
===Chembox===
 +
{{clear}}
 +
<div style="float:left">
 +
<br>
 +
:{{para|index_label|}}
 +
:{{para|index1_label|(''R'')}}
 +
:{{para|index2_label|(''S'')}}
 +
</div>
 +
<div style="float:right;">
 +
:{{para|CASNo1_Comment | (''R'')}}
 +
:{{para|PubChem1_Comment | (''R'')}}
 +
:{{para|CASNo2_Comment | (''S'')}}
 +
:{{para|PubChem2_Comment | (''S'')}}
 +
</div>
 +
{{clear}}
 +
<div style="float:left">
 +
{{chembox
 +
|Name=Linalool (sandbox)
 +
|Section1={{Chembox Identifiers/sandbox
 +
| index_label =
 +
| index1_label = (''R'')
 +
| index2_label = (''S'')
 +
| IUPHAR_ligand = 2469
 +
| CASNo = 78-70-6
 +
| CASNo_Ref = {{cascite|correct|CAS}}
 +
| CASNo1 = 126-91-0
 +
| CASNo1_Comment =
 +
| CASNo1_Ref = {{cascite|changed|CAS}}
 +
| CASNo2 = 126-90-9
 +
| CASNo2_Comment =
 +
| CASNo2_Ref = {{cascite|changed|CAS}}
 +
| PubChem = 6549
 +
| PubChem1 = 443158
 +
| PubChem1_Comment =
 +
| PubChem2 = 67179
 +
| PubChem2_Comment =  }}
 +
| show_ss_note =no | show_infobox_ref =no
 +
}}
 +
</div>
 +
 
 +
{{chembox
 +
|Name=[[Linalool]] (live version)
 +
|Section1={{Chembox Identifiers
 +
| index_label =
 +
| index1_label = (''R'')
 +
| index2_label = (''S'')
 +
| IUPHAR_ligand = 2469
 +
| CASNo = 78-70-6
 +
| CASNo_Ref = {{cascite|correct|CAS}}
 +
| CASNo1 = 126-91-0
 +
| CASNo1_Comment = (''R'')
 +
| CASNo1_Ref = {{cascite|changed|CAS}}
 +
| CASNo2 = 126-90-9
 +
| CASNo2_Comment = (''S'')
 +
| CASNo2_Ref = {{cascite|changed|CAS}}
 +
| PubChem = 6549
 +
| PubChem1 = 443158
 +
| PubChem1_Comment = (''R'')
 +
| PubChem2 = 67179
 +
| PubChem2_Comment = (''S'')  }}
 +
| show_ss_note =no | show_infobox_ref =no
 +
}}
 +
{{clear}}
 +
: {{Q|Q410932}}, {{Q|Q27105233}}, {{Q|Q27105200}}
 +
===Linalool by drugbox===
 +
:index1 (''R''): skipped/unused
 +
{{testcase table
 +
|index_label=
 +
|index1_label=(''R'')
 +
|index2_label=(''S'')
 +
|QID=Q410932
 +
|QID1=Q27105233
 +
|QID2=Q27105200
 +
| IUPHAR_ligand = 2469
 +
| CAS_number  = 78-70-6
 +
| CAS_number1 = 126-91-0
 +
| CAS_number_Ref = {{cascite|correct|CAS}}
 +
| CAS_number2 = 126-90-9
 +
| CAS_number2_Ref = {{cascite|changed|CAS}}
 +
| PubChem = 6549
 +
| PubChem1 = 443158
 +
| PubChem2 = 67179
 +
}}
 +
 
 +
== Test 2 ==
 +
:SID and CID
 +
{{testcase table
 +
| drug_name = ID's
 +
| Verifiedfields = changed
 +
| verifiedrevid = 415028406
 +
 
 +
<!--Identifiers-->
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
| CAS_number = 165800-03-3
 +
<!--NOT verif-->
 
| ATC_prefix = J01
 
| ATC_prefix = J01
 
| ATC_suffix = XX08
 
| ATC_suffix = XX08
 
| PubChem = 441401
 
| PubChem = 441401
 +
| PubChemStructure=9999
 
| NIAID_ChemDB = 070944
 
| NIAID_ChemDB = 070944
 
| PDB_ligand = ZLD
 
| PDB_ligand = ZLD
-->
+
<!-- |PubChem=4091-->
| |2=22
+
|PubChemSubstance=10099
 
}}
 
}}
  
 
==data page==
 
==data page==
:{{para|data page}} or exists, demo page = ???
+
:{{para|data_page}} or exists, demo page = ???
 
{{testcase table
 
{{testcase table
 
| drug_name = data page
 
| drug_name = data page
Line 53: Line 392:
 
| CAS_number_Ref = {{cascite|correct|??}}
 
| CAS_number_Ref = {{cascite|correct|??}}
 
| CAS_number = 165800-03-3
 
| CAS_number = 165800-03-3
 +
<!-- data page-->
 +
| data_page= [[Main page|some page]]
 +
}}
 +
 +
==CAS = none ==
 +
:{{para|CAS_number|none}}
 +
 +
{{testcase table
 +
| drug_name = regular cas
 +
<!--Identifiers-->
 +
| CAS_number = 165800-03-3
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
}}
 +
 +
{{testcase table
 +
| drug_name = cas none
 +
<!--Identifiers-->
 +
| CAS_number = None
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
}}
 +
 +
{{testcase table
 +
| drug_name = cas none
 +
<!--Identifiers-->
 +
| CAS_number = None
 +
| CAS_number2 = None
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
}}
 +
 +
 +
{{testcase table
 +
| drug_name = cas blank
 +
<!--Identifiers-->
 +
| CAS_number =
 +
| CAS_number_Ref = {{cascite|correct|??}}
 +
}}
 +
 +
==PubChem = none ==
 +
:{{para|PubChem|none}}
 +
 +
{{testcase table
 +
| drug_name = regular pubchem
 +
<!--Identifiers-->
 +
| PubChem = 1234
 +
}}
 +
 +
{{testcase table
 +
| drug_name = pubchem none
 +
<!--Identifiers-->
 +
| PubChem = None
 +
}}
 +
{{testcase table
 +
| drug_name = pubchem2 none
 +
<!--Identifiers-->
 +
| PubChem = None
 +
| PubChem2 = none
 +
}}
 +
 +
{{testcase table
 +
| drug_name = pubchem  blank
 +
<!--Identifiers-->
 +
| PubChem  =
 +
 +
}}
 +
 +
==ChemSpider = none ==
 +
 +
:{{para|ChemSpiderID|none}} does cat, and show.
 +
 +
{{testcase table
 +
| drug_name = deprecated chemspider =NA
 +
<!--Identifiers FEB 2017-->
 +
| ChemSpiderID = Na
 +
}}
 +
 +
 +
{{testcase table
 +
| drug_name = regular chemspider
 +
<!--Identifiers-->
 +
| ChemSpiderID = 1234
 +
}}
 +
 +
{{testcase table
 +
| drug_name = rgular 2
 +
<!--Identifiers-->
 +
| index_label=ix0
 +
| index2_label=ix2
 +
| ChemSpiderID = 789
 +
| ChemSpiderID2 = 123
 +
}}
 +
{{testcase table
 +
| drug_name = Chemspider none
 +
<!--Identifiers-->
 +
| ChemSpiderID = None
 +
}}
 +
 +
{{testcase table
 +
| drug_name = 2 none
 +
<!--Identifiers-->
 +
| index_label=ix0
 +
| index2_label=ix2
 +
| ChemSpiderID = None
 +
| ChemSpiderID2 = 123
 +
}}
 +
{{testcase table
 +
| drug_name = 2 none
 +
<!--Identifiers-->
 +
| index_label=ix0
 +
| index2_label=ix2
 +
 +
| ChemSpiderID = None
 +
| ChemSpiderID2 = none
 +
}}
 +
 +
{{testcase table
 +
| drug_name = chemspider  blank
 +
<!--Identifiers-->
 +
| ChemSpiderID  =
 +
| index_label=ix0
 +
| index2_label=ix2
 +
 +
}}
 +
[http://www.example.com link title]
 +
 +
==Jmol==
 +
1. By default, the Jmol external link is fed with the {{para|SMILES}} input. So {{para|Jmol}} does not need input.
 +
 +
2. When {{para|Jmol|none}}, the Jmol data row is suppressed (not shown).
 +
 +
3. When {{para|Jmol|&lt;some SMILES string>}}, Jmol links will show ''that'' string in 3D, no matter what {{para|SMILES}} is. (SMILES output itself is unchanged).
 +
 +
{{testcase table
 +
| drug_name = 1.Jmol by smiles (default)
 +
<!--Identifiers-->
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
}}
 +
 +
{{testcase table
 +
| drug_name = 2.Jmol=none
 +
<!--Identifiers-->
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| Jmol = none
 +
}}
 +
 +
{{testcase table
 +
| drug_name = 3.Jmol=[[DDT]] (overwrites SMILES)
 +
<!--Identifiers-->
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| Jmol=Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
 +
}}
 +
 +
{{testcase table
 +
| drug_name = 4.Jmol only
 +
<!--Identifiers-->
 +
| Jmol=Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
 +
}}
 +
 +
===Jmol (secondary tests)===
 +
 +
{{testcase table
 +
| drug_name = no input
 +
<!--Identifiers-->
 +
| smiles =
 +
}}
  
| data page= [[Main page|some page]]
+
{{testcase table
 +
| drug_name = Jmol=None
 +
<!--Identifiers-->
 +
| smiles = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 +
| Jmol = None
 +
}}
 +
 
 +
{{testcase table
 +
| drug_name = SMILES2 input
 +
<!--Identifiers-->
 +
| smiles2 = O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
 
}}
 
}}

Latest revision as of 11:54, 27 January 2021

  1. REDIRECT Template:Infobox drug/testcases/navbox
  • From a page move: This is a redirect from a page that has been moved (renamed). This page was kept as a redirect to avoid breaking links, both internal and external, that may have been made to the old page name.

Drugbank

URl change 2021-01-27
Template:T links/sandbox links
Template:T links/sandbox links

UNII

Dec 2020: talk [1]

Aspirin R16CO5Y76E

Infobox drug/formatUNII (edit talk history links # /subpages /doc /doc edit /sbox /sbox diff /test)
R16CO5Y76E


sandbox
R16CO5Y76E


PDB ligand

Oct 2020, Template_talk:Infobox_drug#PDB

Template:Testcase table

KEGG

Template:Testcase table

Test 1

Template:Testcase table

id's indexed <blank>,2 with index 0, 2

Script error: No such module "Purge". Template:Testcase table

index-2

Script error: No such module "Purge". Template:Testcase table

index-2 only

Script error: No such module "Purge". Template:Testcase table

Linalool

Chembox


|index_label=
|index1_label=(R)
|index2_label=(S)
|CASNo1_Comment = (R)
|PubChem1_Comment = (R)
|CASNo2_Comment = (S)
|PubChem2_Comment = (S)
Linalool (sandbox)
Identifiers
ECHA InfoCard Script error: No such module "Wikidata". Script error: No such module "Wikidata".Script error: No such module "EditAtWikidata".
E number Script error: No such module "Wikidata".
Linalool (live version)
Identifiers
ECHA InfoCard Script error: No such module "Wikidata". Script error: No such module "Wikidata".Script error: No such module "EditAtWikidata".
E number Script error: No such module "Wikidata".
Lua error in Module:Wd at line 196: attempt to index field 'wikibase' (a nil value). (Q410932), Lua error in Module:Wd at line 196: attempt to index field 'wikibase' (a nil value). (Q27105233), Lua error in Module:Wd at line 196: attempt to index field 'wikibase' (a nil value). (Q27105200)

Linalool by drugbox

index1 (R): skipped/unused

Template:Testcase table

Test 2

SID and CID

Template:Testcase table

data page

|data_page= or exists, demo page = ???

Template:Testcase table

CAS = none

|CAS_number=none

Template:Testcase table

Template:Testcase table

Template:Testcase table


Template:Testcase table

PubChem = none

|PubChem=none

Template:Testcase table

Template:Testcase table Template:Testcase table

Template:Testcase table

ChemSpider = none

|ChemSpiderID=none does cat, and show.

Template:Testcase table


Template:Testcase table

Template:Testcase table Template:Testcase table

Template:Testcase table Template:Testcase table

Template:Testcase table link title

Jmol

1. By default, the Jmol external link is fed with the |SMILES= input. So |Jmol= does not need input.

2. When |Jmol=none, the Jmol data row is suppressed (not shown).

3. When |Jmol=<some SMILES string>, Jmol links will show that string in 3D, no matter what |SMILES= is. (SMILES output itself is unchanged).

Template:Testcase table

Template:Testcase table

Template:Testcase table

Template:Testcase table

Jmol (secondary tests)

Template:Testcase table

Template:Testcase table

Template:Testcase table