7IP

6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE

Created:	2007-01-12
Last modified:	2011-06-04

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1 entries where 7IP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	19

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Chemical Component Summary
Name	6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE
Systematic Name (OpenEye OEToolkits)	6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine
Formula	C₂₀ H₂₀ N₂ O
Molecular Weight	304.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1cccc(c1)c2cccc(c2)CCc3nc(N)ccc3)C
SMILES	CACTVS	3.341	COc1cccc(c1)c2cccc(CCc3cccc(N)n3)c2
SMILES	OpenEye OEToolkits	1.5.0	COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N
Canonical SMILES	CACTVS	3.341	COc1cccc(c1)c2cccc(CCc3cccc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N
InChI	InChI	1.03	InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)
InChIKey	InChI	1.03	AEVBKBAFFJKFJZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07245
Name	6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE
Groups	experimental
Synonyms	6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-secretase 1	MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEE...	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