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Summary Geometry Related PDB entries

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Summary

Name:	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide
Formula:	C16 H15 Cl N4 O4 S
Formal charge:	0
Formula weight:	394.833 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide
OpenEye OEToolkits	2.0.4	1-(5-chloranyl-6-methoxy-pyridin-3-yl)-3-methyl-~{N}-methylsulfonyl-indazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc(Cl)c(OC)n1)n2nc(C)c3cc(ccc23)C(NS(C)(=O)=O)=O
InChI	InChI	1.03	InChI=1S/C16H15ClN4O4S/c1-9-12-6-10(15(22)20-26(3,23)24)4-5-14(12)21(19-9)11-7-13(17)16(25-2)18-8-11/h4-8H,1-3H3,(H,20,22)
InChIKey	InChI	1.03	SOMKDSWCLVBQLT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ncc(cc1Cl)n2nc(C)c3cc(ccc23)C(=O)N[S](C)(=O)=O
SMILES	CACTVS	3.385	COc1ncc(cc1Cl)n2nc(C)c3cc(ccc23)C(=O)N[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C
SMILES	OpenEye OEToolkits	2.0.4	Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C

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