|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H6ClN3O3S2/c11-7-2-1-6(3-8(7)14(16)17)4-12-13-9(15)5-19-10(13)18/h1-4H,5H2
|
|
chemicalCompound:standardIn... |
UMJYWCAHEYFAMO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cc(C=NN2C(=O)CSC2=S)ccc1Cl
|
|
chemicalCompound:molecularF... |
C10H6ClN3O3S2
|
|
chemicalCompound:moleculeId |
784474
|
|
chemicalCompound:mwFreebase |
315.756
|
|
chemicalCompound:alogp |
3.354
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
135.88
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.248
|
|
chemicalCompound:acdLogD |
3.248
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
315.756
|
|
chemicalCompound:chemblId |
CHEMBL1360590
|
|
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:3675982,
activity:3909786,
activity:3947129,
activity:4022284,
activity:4144487,
activity:4295439,
activity:4305765,
activity:4356234,
activity:4622785,
activity:4879724,
activity:4917881,
activity:4934171,
activity:4934640,
activity:5021277,
activity:5515717,
activity:5825768,
activity:5930593,
activity:5986430,
activity:6521955,
activity:7190637
|
