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Summary Geometry Related PDB entries

YMH

Summary

Name:	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C23 H22 N4 O3
Formal charge:	0
Formula weight:	402.446 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKey	InChI	1.06	IGBISIGCTJJXOY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
SMILES	CACTVS	3.385	CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1Oc2ccncc2)C(C)C)NC(=O)c3c4ccccn4nc3O
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1Oc2ccncc2)C(C)C)NC(=O)c3c4ccccn4nc3O

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PDB entries from 2024-07-17

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