KVF

(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide

Created:	2023-08-14
Last modified:	2023-11-08

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1 entries where KVF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	12

2D diagram of KVF

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Chemical Component Summary
Name	(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(3-chlorophenyl)-~{N}-(5-methylpyridazin-4-yl)butanamide
Formula	C₁₅ H₁₆ Cl N₃ O
Molecular Weight	289.76
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
SMILES	CACTVS	3.385	CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C
Canonical SMILES	CACTVS	3.385	CC[C@H](C(=O)Nc1cnncc1C)c2cccc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@@H](c1cccc(c1)Cl)C(=O)Nc2cnncc2C
InChI	InChI	1.06	InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
InChIKey	InChI	1.06	AATSBPIJUYIMKX-ZDUSSCGKSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.