Bioactive Compound Details

BioIDbio742
Name3-(1H-TETRAZOL-5-YL)-4,4A,5,5A-TETRAHYDRO-1H-CYCLOPROPA[4,5]CYCLOPENTA[1,2-C]PYRAZOLE (STRUCTURAL MIX)
ChEMBL IDCHEMBL1085289
Molecular FormulaC8H8N6
Molecular Weight188.19
Molecular Weight (Monoisotopic)188.081
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesC1c2c(-c3nnn[nH]3)n[nH]c2[C@H]2C[C@@H]12
InchiInChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m0/s1
Inchi KeyDKSPRNJUDCWTID-IMJSIDKUSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities35.0
Np Likeness Score-0.91
Records Key['(-)17a', '(+)17a']
Records Name['(-)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole', '(+)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure