|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12ClN3O2S/c17-15-9-13(11-23(21,22)14-6-2-1-3-7-14)19-16(20-15)12-5-4-8-18-10-12/h1-10H,11H2
|
|
chemicalCompound:standardIn... |
YUHCMZQXDVQEBM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)c3cccnc3
|
|
chemicalCompound:molecularF... |
C16H12ClN3O2S
|
|
chemicalCompound:moleculeId |
889836
|
|
chemicalCompound:mwFreebase |
345.803
|
|
chemicalCompound:alogp |
2.718
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
81.19
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.544
|
|
chemicalCompound:acdLogD |
1.544
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
345.803
|
|
chemicalCompound:acdMostBpk... |
2.505
|
|
chemicalCompound:chemblId |
CHEMBL1465952
|
|
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:4259336,
activity:5612059,
activity:6460844,
activity:6591376,
activity:6658344,
activity:6746735,
activity:7152521,
activity:7320317,
activity:7513446,
activity:8330222,
activity:10784257
|
