Bioactive Compound Details

BioIDbio626
NameTETRAHYDROQUINOLINE C
ChEMBL IDCHEMBL491266
Molecular FormulaC26H20F9NO3
Molecular Weight565.43
Molecular Weight (Monoisotopic)565.1299
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTetrahydroquinoline C
SmilesO[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F
InchiInChI=1S/C26H20F9NO3/c27-24(28,29)23(37)14-36-21(16-5-2-7-18(13-16)39-26(33,34)35)11-10-20-19(8-3-9-22(20)36)15-4-1-6-17(12-15)38-25(30,31)32/h1-9,12-13,21,23,37H,10-11,14H2/t21-,23+/m0/s1
Inchi KeyCMOJRCASVGGDKQ-JTHBVZDNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score-0.32
Records Key['Tetrahydroquinoline C']
Records Name['Tetrahydroquinoline C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure