|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H
|
|
chemicalCompound:standardIn... |
AHXGXXJEEHFHDK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1
|
|
chemicalCompound:molecularF... |
C20H14O2S2
|
|
chemicalCompound:moleculeId |
912948
|
|
chemicalCompound:mwFreebase |
350.454
|
|
chemicalCompound:alogp |
5.871
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
91.06
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.93
|
|
chemicalCompound:acdLogP |
5.505
|
|
chemicalCompound:acdLogD |
5.492
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
350.454
|
|
chemicalCompound:chemblId |
CHEMBL1489064
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:3607820,
activity:3658006,
activity:3690385,
activity:3698421,
activity:3769485,
activity:3773538,
activity:3774239,
activity:3774771,
activity:3777898,
activity:3778882,
activity:3894574,
activity:3902816,
activity:3903983,
activity:3913368,
activity:3919686,
activity:3928249,
activity:3942324,
activity:3951321,
activity:3981040,
activity:4057183,
activity:4078767,
activity:4106361,
activity:4291438,
activity:4370550,
activity:4469437,
activity:4586717,
activity:4670763,
activity:4717833,
activity:4723468,
activity:4731206,
activity:4783640,
activity:4829392,
activity:4868884,
activity:4872849,
activity:4896392,
activity:4901581,
activity:4902060,
activity:4961383,
activity:4976475,
activity:4980630,
activity:5019579,
activity:5022707,
activity:5026872,
activity:5068983,
activity:5078243,
activity:6446966,
activity:6469809,
activity:6562293,
activity:6581012,
activity:6742968,
activity:6958492,
activity:7012720,
activity:7052403,
activity:7054391,
activity:7063009,
activity:7227883,
activity:7458106,
activity:7475647,
activity:7551418
|
