BI5

4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE

Created:	2005-06-14
Last modified:	2011-06-04

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1 entries where BI5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	18

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Chemical Component Summary
Name	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
Systematic Name (OpenEye OEToolkits)	4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
Formula	C₁₉ H₁₆ N₂ O₂
Molecular Weight	304.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3
SMILES	CACTVS	3.341	O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3
Canonical SMILES	CACTVS	3.341	O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3
InChI	InChI	1.03	InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
InChIKey	InChI	1.03	HVLSCZSVTCNAQX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07459
Name	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
Groups	experimental
Synonyms	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 14	MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682