Bioactive Compound Details

BioIDbio180
NameFICUSEPTAMINE C
ChEMBL IDCHEMBL1086631
Molecular FormulaC15H22NO3+
Molecular Weight264.35
Molecular Weight (Monoisotopic)264.1594
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsficuseptamine C
SmilesCOc1cc(C(=O)CC2CCC[N+]2(C)C)ccc1O
InchiInChI=1S/C15H21NO3/c1-16(2)8-4-5-12(16)10-14(18)11-6-7-13(17)15(9-11)19-3/h6-7,9,12H,4-5,8,10H2,1-3H3/p+1
Inchi KeyKMFMDBAYGMIWCI-UHFFFAOYSA-O
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.28
Records Key['3, ficuseptamine C']
Records Name['1-(4-hydroxy-3-methoxyphenyl)-2-(N,N-dimethylpyrrolidinium-2-yl)ethanone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure