|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
|
|
chemicalCompound:standardIn... |
WQABCVAJNWAXTE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OCC(S)CS
|
|
chemicalCompound:molecularF... |
C3H8OS2
|
|
chemicalCompound:moleculeId |
454382
|
|
chemicalCompound:mwFreebase |
124.225
|
|
chemicalCompound:alogp |
0.534
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
97.83
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.999
|
|
chemicalCompound:acdLogP |
0.627
|
|
chemicalCompound:acdLogD |
0.618
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
124.225
|
|
chemicalCompound:chemblId |
CHEMBL1597
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DIMERCAPROL
|
|
chemicalCompound:activity |
activity:2589867,
activity:2589911,
activity:3392613,
activity:3392614,
activity:3392615,
activity:3392616,
activity:3392617,
activity:3392618,
activity:3392619,
activity:3392620,
activity:3392621,
activity:3392622,
activity:3392623,
activity:3392624,
activity:3392625,
activity:3392626,
activity:3392627,
activity:3392628,
activity:5316332,
activity:5316881,
activity:7833479,
activity:7833480,
activity:7833481,
activity:7833482,
activity:7833483,
activity:7833484,
activity:7833485,
activity:7833486,
activity:7833487,
activity:7833488,
activity:7833489,
activity:7833490,
activity:7833491,
activity:7833492
|
