Bioactive Compound Details

BioIDbio106
NameMELODININE C
ChEMBL IDCHEMBL1087383
Molecular FormulaC22H22N2O3
Molecular Weight362.43
Molecular Weight (Monoisotopic)362.163
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMelodinine C
SmilesCC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@H]24
InchiInChI=1S/C22H22N2O3/c1-2-12-11-23-8-7-22-16-5-3-4-6-17(16)24-19(22)14(13(12)10-18(22)23)9-15(20(24)25)21(26)27/h3-6,9,12-13,18H,2,7-8,10-11H2,1H3,(H,26,27)/t12-,13+,18+,22-/m1/s1
Inchi KeyGLLCWAAMMJOGIH-VXRMTAITSA-N
Molecular SpeciesZWITTERION
Targets9.0
Bioactivities9.0
Np Likeness Score1.71
Records Key['3', '27']
Records Name['Melodinine C', 'Melodinine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure