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Summary Geometry Related PDB entries

ZSY

Summary

Name:	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
Formula:	C19 H17 N3 O3
Formal charge:	0
Formula weight:	335.357 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-cyclopropyl-6-(furan-2-yl)-2-oxidanyl-~{N}-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1
InChI	InChI	1.03	InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)
InChIKey	InChI	1.03	VTYIZPVGHMMFAO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
SMILES	CACTVS	3.385	Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4

222415

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