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517

Summary
Name:1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA
Formula:C15 H14 N4 O2
Formal charge:0
Formula weight:282.297 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-{2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-5-yl}urea
OpenEye OEToolkits1.5.0[2-oxo-3-[1-(1H-pyrrol-2-yl)ethyl]indol-5-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)NC3=CC=1C(=NC(=O)C=1C(c2cccn2)C)C=C3
SMILES_CANONICALCACTVS3.341C[C@@H](c1[nH]ccc1)C2=C3C=C(NC(N)=O)C=CC3=NC2=O
SMILESCACTVS3.341C[CH](c1[nH]ccc1)C2=C3C=C(NC(N)=O)C=CC3=NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N
SMILESOpenEye OEToolkits1.5.0CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N
InChIInChI1.03InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1
InChIKeyInChI1.03KJDBLWKTHMHALD-QMMMGPOBSA-N

248636

PDB entries from 2026-02-04

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