Bioactive Compound Details

BioIDbio2362
NameNone
ChEMBL IDCHEMBL1765579
Molecular FormulaC22H30O
Molecular Weight310.48
Molecular Weight (Monoisotopic)310.2297
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Cyclopropyl Rhodopsin
SmilesCC1=C(/C=C/C(=C/C=C\C(C)=C\C=O)C2CC2)C(C)(C)CCC1
InchiInChI=1S/C22H30O/c1-17(14-16-23)7-5-9-19(20-10-11-20)12-13-21-18(2)8-6-15-22(21,3)4/h5,7,9,12-14,16,20H,6,8,10-11,15H2,1-4H3/b7-5-,13-12+,17-14+,19-9-
Inchi KeyBBWLSVCIBPPDQY-QQKIIDFWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.34
Records Key['Table 1, R2C1']
Records Name['9-cyclopropyl Rhodopsin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure