Bioactive Compound Details

BioIDbio1337
Name4'-CYCLOPROPYL-5'-(5-(TRIFLUORO METHYL)PYRIDIN-2-YL SULFONYL)-4',5'-DIHYDROSPIRO[CYCLOPROPANE-1,6'-PYRAZOLO[4,3-C]PYRIDIN]-7'(1'H)-ONE (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL1086062
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39
Molecular Weight (Monoisotopic)412.0817
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2
InchiInChI=1S/C17H15F3N4O3S/c18-17(19,20)10-3-4-12(21-7-10)28(26,27)24-14(9-1-2-9)11-8-22-23-13(11)15(25)16(24)5-6-16/h3-4,7-9,14H,1-2,5-6H2,(H,22,23)
Inchi KeyOQFIYWHZRVZQML-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities17.0
Np Likeness Score-0.86
Records Key['16g', '16h', '16i']
Records Name[rac-4'-cyclopropyl-5'-(5-(trifluoromethyl)pyridin-2-ylsulfonyl)-4',5'-dihydro spiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridin]-7'(1'H)-one", "4'-cyclopropyl-5'-(5-(trifluoro methyl)pyridin-2-yl sulfonyl)-4',5'-dihydrospiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridin]-7'(1'H)-one", "4'-cyclo propyl-5'-(5-(trifluoro methyl)pyridin-2-ylsulfonyl)-4',5'-dihydrospiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridin]-7'(1'H)-one"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure