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SummaryGeometryRelated PDB entries

A1BMG

Summary
Name:[(4M)-4-(1H-indol-4-yl)-1H-imidazol-2-yl](3,4,5-trimethoxyphenyl)methanone
Formula:C21 H19 N3 O4
Formal charge:0
Formula weight:377.393 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(4M)-4-(1H-indol-4-yl)-1H-imidazol-2-yl](3,4,5-trimethoxyphenyl)methanone
OpenEye OEToolkits3.1.0.0[4-(1~{H}-indol-4-yl)-1~{H}-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1nc(c[NH]1)c1cccc2[NH]ccc12)c1cc(OC)c(OC)c(OC)c1
InChIInChI1.06InChI=1S/C21H19N3O4/c1-26-17-9-12(10-18(27-2)20(17)28-3)19(25)21-23-11-16(24-21)13-5-4-6-15-14(13)7-8-22-15/h4-11,22H,1-3H3,(H,23,24)
InChIKeyInChI1.06UBTWEWDUQYSFCL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc(OC)c1OC)C(=O)c2[nH]cc(n2)c3cccc4[nH]ccc34
SMILESCACTVS3.385COc1cc(cc(OC)c1OC)C(=O)c2[nH]cc(n2)c3cccc4[nH]ccc34
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cc(cc(c1OC)OC)C(=O)c2[nH]cc(n2)c3cccc4c3cc[nH]4
SMILESOpenEye OEToolkits3.1.0.0COc1cc(cc(c1OC)OC)C(=O)c2[nH]cc(n2)c3cccc4c3cc[nH]4

250835

PDB entries from 2026-03-18

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