SAG

(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]

Created: 2007-07-12
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count40
Aromatic Bond Count12
2D diagram of SAG
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Chemical Component Summary

Name(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]
SynonymsSAFINAMIDE
Systematic Name (OpenEye OEToolkits)(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]propanamide
FormulaC17 H17 F N2 O2
Molecular Weight300.327
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)C
SMILESCACTVS3.341C[CH](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
SMILESOpenEye OEToolkits1.5.0CC(C(=O)N)N=Cc1ccc(cc1)OCc2cccc(c2)F
Canonical SMILESCACTVS3.341 C[C@H](N=Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F
InChIInChI1.03 InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1
InChIKeyInChI1.03 RJJDIVMWGWHPFE-QDBSGRMGSA-N

Drug Info: DrugBank

DrugBank IDDB08516 
Name(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]
Groups experimental
Synonyms(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]

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