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Summary Geometry Related PDB entries

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Summary

Name:	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl F N2 O2
Formal charge:	0
Formula weight:	356.778 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-6-chloranyl-~{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)C1CCOc2ccc(Cl)cc21
InChI	InChI	1.06	InChI=1S/C19H14ClFN2O2/c20-12-2-4-18-16(7-12)14(5-6-25-18)19(24)23-17-10-22-9-11-1-3-13(21)8-15(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
InChIKey	InChI	1.06	YVSNGUCAHVBFFA-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc34)c2c1
SMILES	CACTVS	3.385	Fc1ccc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl

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