Bioactive Compound Details

BioIDbio644
NameNone
ChEMBL IDCHEMBL245527
Molecular FormulaC20H15N3O4
Molecular Weight361.36
Molecular Weight (Monoisotopic)361.1063
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTrans-Dihydroarcyriarubin C
SmilesO=C1NC(=O)[C@@H](c2c[nH]c3cc(O)ccc23)[C@@H]1c1c[nH]c2cc(O)ccc12
InchiInChI=1S/C20H15N3O4/c24-9-1-3-11-13(7-21-15(11)5-9)17-18(20(27)23-19(17)26)14-8-22-16-6-10(25)2-4-12(14)16/h1-8,17-18,21-22,24-25H,(H,23,26,27)/t17-,18-/m0/s1
Inchi KeyMDOQJLLAKJRIGD-ROUUACIJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.49
Records Key['3']
Records Name['trans-dihydroarcyriarubin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure