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Summary Geometry Related PDB entries

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Summary

Name:	N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
Formula:	C16 H11 N5 O S
Formal charge:	0
Formula weight:	321.356 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
OpenEye OEToolkits	1.7.6	N-pyridin-3-yl-2-thiophen-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccnc1)c2c3nc(nc3ncc2)c4ccsc4
InChI	InChI	1.03	InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)
InChIKey	InChI	1.03	NMYRPXBRICOTPO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4
SMILES	CACTVS	3.370	O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4

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