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Summary Geometry Related PDB entries

QSF

Summary

Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
Formula:	C19 H14 Cl N3 O2
Formal charge:	0
Formula weight:	351.786 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
OpenEye OEToolkits	2.0.7	(3~{S})-5-chloranyl-~{N}-isoquinolin-4-yl-3-methyl-2-oxidanylidene-1~{H}-indole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21
InChI	InChI	1.06	InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKey	InChI	1.06	FZPBWXZGXXKTLK-IBGZPJMESA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILES	CACTVS	3.385	C[C]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4
SMILES	OpenEye OEToolkits	2.0.7	CC1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4

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