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SummaryGeometryRelated PDB entries

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Summary
Name:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide
Formula:C19 H16 Cl N3 O
Formal charge:0
Formula weight:337.803 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide
OpenEye OEToolkits2.0.7(3~{S})-5-chloranyl-~{N}-isoquinolin-4-yl-3-methyl-1,2-dihydroindole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc2c(cc1)NCC2(C)C(=O)Nc1cncc2ccccc21
InChIInChI1.06InChI=1S/C19H16ClN3O/c1-19(11-22-16-7-6-13(20)8-15(16)19)18(24)23-17-10-21-9-12-4-2-3-5-14(12)17/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyInChI1.06GTVALCQWCWDFRA-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(CNc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILESCACTVS3.385C[C]1(CNc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@]1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4
SMILESOpenEye OEToolkits2.0.7CC1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4

218853

PDB entries from 2024-04-24

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