MFG

(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE

Created: 2008-07-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count6
2D diagram of MFG
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Chemical Component Summary

Name(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
Systematic Name (OpenEye OEToolkits)4-(4-fluorophenyl)-2-methylidene-butan-1-imine
FormulaC11 H12 F N
Molecular Weight177.218
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc1ccc(cc1)CCC(=C)/C=[N@H]
SMILESCACTVS3.341Fc1ccc(CCC(=C)C=N)cc1
SMILESOpenEye OEToolkits1.5.0[H]N=CC(=C)CCc1ccc(cc1)F
Canonical SMILESCACTVS3.341 Fc1ccc(CCC(=C)C=N)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 [H]/N=C/C(=C)CCc1ccc(cc1)F
InChIInChI1.03 InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+
InChIKeyInChI1.03 CFVUPEQWSFCCFT-MDWZMJQESA-N

Drug Info: DrugBank

DrugBank IDDB08176 
Name(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
Groups experimental
Synonyms(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE

Drug Targets

NameTarget SequencePharmacological ActionActions
Amine oxidase [flavin-containing] BMSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...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