Bioactive Compound Details

BioIDbio412
NameCYANOCYCLINE C
ChEMBL IDCHEMBL515816
Molecular FormulaC22H28N4O5
Molecular Weight428.49
Molecular Weight (Monoisotopic)428.206
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCyanocycline C
SmilesCOc1c(C)c(O)c2c(c1O)[C@@H](CO)N1[C@H]3[C@@H]4[C@@H](C[C@H]([C@H]1C#N)N4C)[C@@H]1OCCN1[C@@H]23
InchiInChI=1S/C22H28N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27-29H,4-6,8H2,1-3H3/t10-,11-,12-,13-,16+,17+,18+,22+/m1/s1
Inchi KeyNOKQSFLJDOKXTD-OATCYBTRSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score2.27
Records Key['5']
Records Name['cyanocycline C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure