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SummaryGeometryRelated PDB entries

A1BXW

Summary
Name:(2P)-2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
Formula:C22 H21 N3 O2
Formal charge:0
Formula weight:359.421 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2P)-2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
OpenEye OEToolkits3.1.0.02-(2-methoxyphenyl)-~{N}-(3-methoxyphenyl)-1-methyl-pyrrolo[3,2-c]pyridin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52COc1cccc(c1)Nc1nccc2c1cc(c1ccccc1OC)n2C
InChIInChI1.06InChI=1S/C22H21N3O2/c1-25-19-11-12-23-22(24-15-7-6-8-16(13-15)26-2)18(19)14-20(25)17-9-4-5-10-21(17)27-3/h4-14H,1-3H3,(H,23,24)
InChIKeyInChI1.06UQASDSGYXMMHAO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(Nc2nccc3n(C)c(cc23)c4ccccc4OC)c1
SMILESCACTVS3.385COc1cccc(Nc2nccc3n(C)c(cc23)c4ccccc4OC)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2ccnc(c2cc1c3ccccc3OC)Nc4cccc(c4)OC
SMILESOpenEye OEToolkits3.1.0.0Cn1c2ccnc(c2cc1c3ccccc3OC)Nc4cccc(c4)OC

250059

PDB entries from 2026-03-04

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