Bioactive Compound Details

BioIDbio199161
NameSTRYCHNINE SULFATE
ChEMBL IDCHEMBL2103753
Molecular FormulaC42H46N4O8S
Molecular Weight766.92
Molecular Weight (Monoisotopic)334.1681
TypeSmall molecule
Max PhaseUnknown
Target IDTar81
Target NameNone
SynonymsSTRYCHNIDIN-10-ONE, SULFATE (2:1)|STRYCHNINE HEMISULPHATE SALT|STRYCHNINE SULFATE|STRYCHNINE SULPHATE|STRYCHNINE, SULFATE (2:1)|STRYCHNINE, SULPHATE (2:1)
SmilesO=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=S(=O)(O)O
InchiInChI=1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
Inchi KeyGOOCRIHPADOQAS-ZNUXJMJHSA-N
Molecular SpeciesBASE
Targets12.0
Bioactivities23.0
Np Likeness Score3.05
Records Key['Strychnine sulfate', 'strychnine sulfate', 'STRYCHNINE SULFATE', 'SID144212334', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE']
Records Name['Strychnine sulfate', 'strychnine sulfate', 'STRYCHNINE SULFATE', 'SID144212334', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE', 'STRYCHNINE SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure