Bioactive Compound Details

BioIDbio1551
NameNUTTINGIN C
ChEMBL IDCHEMBL229156
Molecular FormulaC27H42N4O2
Molecular Weight454.66
Molecular Weight (Monoisotopic)454.3308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNuttingin C
SmilesC/C(=C\CC/C(C)=C/Cn1cnc2c1C(=O)N(C)CN2C)CC/C=C(\C)CC(=O)CC(C)C
InchiInChI=1S/C27H42N4O2/c1-20(2)16-24(32)17-23(5)13-9-11-21(3)10-8-12-22(4)14-15-31-18-28-26-25(31)27(33)30(7)19-29(26)6/h10,13-14,18,20H,8-9,11-12,15-17,19H2,1-7H3/b21-10+,22-14+,23-13+
Inchi KeyXCMUYDLTBHFISR-ZXABJLRBSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score1.27
Records Key['3']
Records Name['nuttingin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure