|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H13N3O3S/c20-17-13(8-11-6-7-15(23)16(24)9-11)18(25)21-19-22(17)14(10-26-19)12-4-2-1-3-5-12/h1-10,20,23-24H/b13-8-,20-17?
|
|
chemicalCompound:standardIn... |
BOMRBRJPSOMQBF-FWAMYBDSSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(\C=C\2/C(=O)N=C3SC=C(N3C2=N)c4ccccc4)cc1O
|
|
chemicalCompound:molecularF... |
C19H13N3O3S
|
|
chemicalCompound:moleculeId |
967719
|
|
chemicalCompound:mwFreebase |
363.39
|
|
chemicalCompound:alogp |
3.076
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
122.28
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.549
|
|
chemicalCompound:acdLogP |
2.336
|
|
chemicalCompound:acdLogD |
2.293
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
363.39
|
|
chemicalCompound:chemblId |
CHEMBL1543835
|
|
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:3618557,
activity:3720146,
activity:3795451,
activity:3971620,
activity:4052088,
activity:4317639,
activity:4627231,
activity:4693630,
activity:4726122,
activity:4832277,
activity:4933875,
activity:4938408,
activity:5362448,
activity:5411973,
activity:5506845,
activity:5602497,
activity:5651140,
activity:5695841,
activity:5799034,
activity:5812930,
activity:5959755,
activity:5970214,
activity:6619647,
activity:6756808,
activity:6966438,
activity:7048195,
activity:7166690,
activity:7255142,
activity:7330780,
activity:7429708,
activity:9787104,
activity:10642425
|
