|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H16N4O2S/c1-10-9-11(2)19(17-10)14-8-7-12-5-4-6-13(15(12)16-14)18-22(3,20)21/h4-9,18H,1-3H3
|
|
chemicalCompound:standardIn... |
YVJYHMAMNYGITG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(C)n(n1)c2ccc3cccc(NS(=O)(=O)C)c3n2
|
|
chemicalCompound:molecularF... |
C15H16N4O2S
|
|
chemicalCompound:moleculeId |
994649
|
|
chemicalCompound:mwFreebase |
316.378
|
|
chemicalCompound:alogp |
2.121
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
85.26
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
5.735
|
|
chemicalCompound:acdLogP |
2.511
|
|
chemicalCompound:acdLogD |
0.976
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.378
|
|
chemicalCompound:chemblId |
CHEMBL1570765
|
|
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:3651753,
activity:3684182,
activity:3724567,
activity:3761978,
activity:3764195,
activity:3911396,
activity:4085287,
activity:4108279,
activity:4400980,
activity:4420379,
activity:4466544,
activity:4706940,
activity:4719860,
activity:4781237,
activity:4802833,
activity:4858012,
activity:4948551,
activity:4966035,
activity:5008851,
activity:5061826,
activity:5404920,
activity:5450465,
activity:5532710,
activity:5650189,
activity:5855274,
activity:5858038,
activity:5961448,
activity:6806603,
activity:6917813,
activity:7123004,
activity:7358332,
activity:7451982,
activity:8274260,
activity:8305062,
activity:9709949,
activity:10323997,
activity:10621156
|
