Bioactive Compound Details

BioIDbio701
NameNone
ChEMBL IDCHEMBL515214
Molecular FormulaC30H30Br2N6O
Molecular Weight650.42
Molecular Weight (Monoisotopic)648.0848
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(+/-)-Gelliusine C
SmilesNCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2ccc(O)c(C(CN)c3c[nH]c4cc(Br)ccc34)c12
InchiInChI=1S/C30H30Br2N6O/c31-15-1-3-17-22(13-36-25(17)9-15)20(11-34)29-27(39)6-5-24-28(29)19(7-8-33)30(38-24)21(12-35)23-14-37-26-10-16(32)2-4-18(23)26/h1-6,9-10,13-14,20-21,36-39H,7-8,11-12,33-35H2
Inchi KeyKJQYELPBSPDCOH-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score0.66
Records Key['2']
Records Name['(+/-)-gelliusine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure