Bioactive Compound Details

BioIDbio293
NameT988 C
ChEMBL IDCHEMBL519884
Molecular FormulaC23H20N4O4S2
Molecular Weight480.57
Molecular Weight (Monoisotopic)480.0926
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCN1C(=O)[C@]23SS[C@]1(CO)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O
InchiInChI=1S/C23H20N4O4S2/c1-26-20(31)23-17(29)22(14-10-24-15-8-4-2-6-12(14)15)13-7-3-5-9-16(13)25-18(22)27(23)19(30)21(26,11-28)32-33-23/h2-10,17-18,24-25,28-29H,11H2,1H3/t17-,18+,21+,22+,23-/m0/s1
Inchi KeyNHOTYQNKQTXECK-HMKLVTIHSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score2.06
Records Key['3', '7']
Records Name['T988 C', 'T988 C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure