Bioactive Compound Details

BioIDbio1257
NameGRANDILODINE C
ChEMBL IDCHEMBL1801886
Molecular FormulaC21H20N2O5
Molecular Weight380.4
Molecular Weight (Monoisotopic)380.1372
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGrandilodine C
SmilesCOC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3
InchiInChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19+,20+,21+/m0/s1
Inchi KeySTACHDUHGOCYFP-RKTMXUFFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.09
Records Key['3']
Records Name['grandilodine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure