Bioactive Compound Details

BioIDbio865
NameBUXAMINOL C
ChEMBL IDCHEMBL1651038
Molecular FormulaC27H46N2O
Molecular Weight414.68
Molecular Weight (Monoisotopic)414.361
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBuxaminol C
SmilesCN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C
InchiInChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1
Inchi KeyUFOMWAWIEKKLJS-KBVVDYDXSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score2.91
Records Key['10']
Records Name['buxaminol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure