Bioactive Compound Details

BioIDbio547
NameDYSINOSIN C
ChEMBL IDCHEMBL508298
Molecular FormulaC25H42N6O10S
Molecular Weight618.71
Molecular Weight (Monoisotopic)618.2683
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDysinosin C
SmilesCO[C@H](COS(=O)(=O)[O-])C(=O)N[C@H](C(=O)N1[C@H](C(=O)NCCC2=CC[N+](=C(N)N)C2)C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]21)C(C)C
InchiInChI=1S/C25H42N6O10S/c1-13(2)21(29-23(35)20(40-3)12-41-42(37,38)39)24(36)31-16-10-19(33)18(32)9-15(16)8-17(31)22(34)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-33H,4,6-12H2,1-3H3,(H6,26,27,28,29,34,35,37,38,39)/t15-,16+,17+,18+,19+,20-,21+/m1/s1
Inchi KeyIDIGNXIFMDXCKQ-XYIAWKELSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score0.98
Records Key['2']
Records Name['dysinosin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure