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SummaryGeometryRelated PDB entries

MXV

Summary
Name:2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine
Formula:C24 H22 N4 O3
Formal charge:0
Formula weight:414.456 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27)
InChIKeyInChI1.06LCQATVJMJZBCON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45
SMILESCACTVS3.385COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1ccc2c1cccc2c3[nH]c4ccnc(c4n3)c5cc(c(c(c5)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7Cn1ccc2c1cccc2c3[nH]c4ccnc(c4n3)c5cc(c(c(c5)OC)OC)OC

227344

PDB entries from 2024-11-13

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