Bioactive Compound Details

BioIDbio573
Name4'-CYCLOPROPYL-7',7'-DIFLUORO-5'-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YLSULFONYL)-1',4',5',7'-TETRAHYDRO SPIRO[CYCLOPROPANE-1,6'-PYRAZOLO[4,3-C]PYRIDINE] (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL1085600
Molecular FormulaC17H15F5N4O2S
Molecular Weight434.39
Molecular Weight (Monoisotopic)434.0836
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesO=S(=O)(c1ccc(C(F)(F)F)nc1)N1C(C2CC2)c2cn[nH]c2C(F)(F)C12CC2
InchiInChI=1S/C17H15F5N4O2S/c18-16(19)14-11(8-24-25-14)13(9-1-2-9)26(15(16)5-6-15)29(27,28)10-3-4-12(23-7-10)17(20,21)22/h3-4,7-9,13H,1-2,5-6H2,(H,24,25)
Inchi KeyKRXBKHKDFUKPLA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities18.0
Np Likeness Score-0.86
Records Key['17b', '17a', '17c']
Records Name[4'-cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridine]", "rac-4'-cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydrospiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridine]", "4'-cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-yl sulfonyl)-1',4',5',7'-tetrahydrospiro[cyclopropane-1,6'-pyrazolo[4,3-c]pyridine]"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure