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SummaryGeometryRelated PDB entries

ARH

Summary
Name:3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE
Synonyms:ARH019
Formula:C19 H18 N2 O3
Formal charge:0
Formula weight:322.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(hydroxymethyl)-1-methyl-5-[(2R)-2-methylaziridin-1-yl]-2-phenyl-1H-indole-4,7-dione
OpenEye OEToolkits1.5.03-(hydroxymethyl)-1-methyl-5-[(1S,2R)-2-methylaziridin-1-yl]-2-phenyl-indole-4,7-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3c2n(c(c1ccccc1)c(c2C(=O)C(=C3)N4C(C4)C)CO)C
SMILES_CANONICALCACTVS3.341C[C@@H]1CN1C2=CC(=O)c3n(C)c(c4ccccc4)c(CO)c3C2=O
SMILESCACTVS3.341C[CH]1CN1C2=CC(=O)c3n(C)c(c4ccccc4)c(CO)c3C2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O
SMILESOpenEye OEToolkits1.5.0CC1CN1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O
InChIInChI1.03InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21+/m1/s1
InChIKeyInChI1.03RQFCSAVLOHDQNB-FIKIJFGZSA-N

226262

PDB entries from 2024-10-16

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