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Summary Geometry Related PDB entries

QGV

Summary

Name:	(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
Formula:	C19 H14 N4 O2
Formal charge:	0
Formula weight:	330.34 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
OpenEye OEToolkits	2.0.7	(2-hydroxyphenyl)-(3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridin-5-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cc(cc3c(C)nn(c1ncccc1)c23)C(=O)c4ccccc4O
InChI	InChI	1.03	InChI=1S/C19H14N4O2/c1-12-15-10-13(18(25)14-6-2-3-7-16(14)24)11-21-19(15)23(22-12)17-8-4-5-9-20-17/h2-11,24H,1H3
InChIKey	InChI	1.03	LFBMVPHWBALPPW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nn(c2ccccn2)c3ncc(cc13)C(=O)c4ccccc4O
SMILES	CACTVS	3.385	Cc1nn(c2ccccn2)c3ncc(cc13)C(=O)c4ccccc4O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O

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