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Summary Geometry Related PDB entries

LR0

Summary

Name:	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Formula:	C16 H14 F N3 O2
Formal charge:	0
Formula weight:	299.3 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
OpenEye OEToolkits	2.0.7	(7~{R})-~{N}-(4-acetamidopyridin-3-yl)-4-fluoranyl-bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21
InChI	InChI	1.06	InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/m1/s1
InChIKey	InChI	1.06	OVXVQSQKNSMPOY-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3ccc(F)cc23
SMILES	CACTVS	3.385	CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3c2cc(cc3)F
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F

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