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SummaryGeometryRelated PDB entries

YO0

Summary
Name:1-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone
Formula:C35 H33 N3 O5
Formal charge:0
Formula weight:575.654 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C35H33N3O5/c1-22-31(29(37-38(22)2)21-43-24-13-4-3-5-14-24)28-17-9-16-26-27(33(36-32(26)28)34(39)35(40)41)18-10-20-42-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35-36,40-41H,10,18,20-21H2,1-2H3
InChIKeyInChI1.06WZCPCAOYSVDSOO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(COc2ccccc2)c(c1C)c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(=O)C(O)O
SMILESCACTVS3.385Cn1nc(COc2ccccc2)c(c1C)c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(=O)C(O)O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(nn1C)COc2ccccc2)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)C(O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(c(nn1C)COc2ccccc2)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)C(O)O

251174

PDB entries from 2026-03-25

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