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Summary Geometry Related PDB entries

QVG

Summary

Name:	(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H13 Cl F2 N2 O2
Formal charge:	0
Formula weight:	374.769 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-6-chloranyl-7-fluoranyl-~{N}-(6-fluoranylisoquinolin-4-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21
InChI	InChI	1.06	InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1
InChIKey	InChI	1.06	VPVQGEOZXDRIEP-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc2cncc(NC(=O)[C@@H]3CCOc4cc(F)c(Cl)cc34)c2c1
SMILES	CACTVS	3.385	Fc1ccc2cncc(NC(=O)[CH]3CCOc4cc(F)c(Cl)cc34)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(c(c4)F)Cl

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