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Summary Geometry Related PDB entries

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Summary

Name:	(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C15 H13 Cl N2 O3
Formal charge:	0
Formula weight:	304.728 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
OpenEye OEToolkits	2.0.7	(3~{S})-5-chloranyl-~{N}-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21
InChI	InChI	1.06	InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1
InChIKey	InChI	1.06	BWTWLKMAKBVNDU-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	OCc1ccncc1NC(=O)[C@@H]2COc3ccc(Cl)cc23
SMILES	CACTVS	3.385	OCc1ccncc1NC(=O)[CH]2COc3ccc(Cl)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)[C@@H](CO2)C(=O)Nc3cnccc3CO
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)C(CO2)C(=O)Nc3cnccc3CO

218853

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