80G

1-(4-thiophen-2-ylphenyl)methanamine

Created:	2009-01-20
Last modified:	2011-06-04

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1 entries where 80G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	12

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Chemical Component Summary
Name	1-(4-thiophen-2-ylphenyl)methanamine
Systematic Name (OpenEye OEToolkits)	(4-thiophen-2-ylphenyl)methanamine
Formula	C₁₁ H₁₁ N S
Molecular Weight	189.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	s2c(c1ccc(cc1)CN)ccc2
SMILES	CACTVS	3.341	NCc1ccc(cc1)c2sccc2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)c2ccc(cc2)CN
Canonical SMILES	CACTVS	3.341	NCc1ccc(cc1)c2sccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)c2ccc(cc2)CN
InChI	InChI	1.03	InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
InChIKey	InChI	1.03	YKNLMMDEWQZCLJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07259
Name	1-(4-thiophen-2-ylphenyl)methanamine
Groups	experimental
Synonyms	1-(4-thiophen-2-ylphenyl)methanamine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Leukotriene A-4 hydrolase	MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...	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