Bioactive Compound Details

BioIDbio181599
NameTRIMETHOPRIM SULFATE
ChEMBL IDCHEMBL2110367
Molecular FormulaC28H38N8O10S
Molecular Weight678.73
Molecular Weight (Monoisotopic)290.1379
TypeSmall molecule
Max PhasePhase 4
Target IDTar63
Target NameNone
SynonymsBW 72U|BW-72U|TRIMETHOPRIM SULFATE|TRIMETHOPRIM SULPHATE
SmilesCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=S(=O)(O)O
InchiInChI=1S/2C14H18N4O3.H2O4S/c2*1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-5(2,3)4/h2*5-7H,4H2,1-3H3,(H4,15,16,17,18);(H2,1,2,3,4)
Inchi KeyUILMMYFRNCCPLK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score0.07
Records Key['TRIMETHOPRIM SULFATE', 'TRIMETHOPRIM SULFATE']
Records Name['TRIMETHOPRIM SULFATE', 'TRIMETHOPRIM SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure