Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1EE1

Summary
Name:(4~{R})-5-(4-hydroxyphenyl)-3-(4-methylphenyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Formula:C24 H19 N3 O2
Formal charge:0
Formula weight:381.427 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(4~{R})-5-(4-hydroxyphenyl)-3-(4-methylphenyl)-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H19N3O2/c1-15-7-9-16(10-8-15)21-20-22(26-25-21)24(29)27(18-11-13-19(28)14-12-18)23(20)17-5-3-2-4-6-17/h2-14,23,28H,1H3,(H,25,26)/t23-/m1/s1
InChIKeyInChI1.06AEPWKCPPMQLIPX-HSZRJFAPSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1)c2[nH]nc3C(=O)N([C@H](c4ccccc4)c23)c5ccc(O)cc5
SMILESCACTVS3.385Cc1ccc(cc1)c2[nH]nc3C(=O)N([CH](c4ccccc4)c23)c5ccc(O)cc5
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)c2c3c(n[nH]2)C(=O)N([C@@H]3c4ccccc4)c5ccc(cc5)O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)c2c3c(n[nH]2)C(=O)N(C3c4ccccc4)c5ccc(cc5)O

249697

PDB entries from 2026-02-25

PDB statisticsPDBj update infoContact PDBjnumon