|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H12N2O3S/c1-17-10-6-5-9(8-11(10)18-2)13-15-16-14(19-13)12-4-3-7-20-12/h3-8H,1-2H3
|
|
chemicalCompound:standardIn... |
YFFKJVDZHRNARL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1OC)c2oc(nn2)c3cccs3
|
|
chemicalCompound:molecularF... |
C14H12N2O3S
|
|
chemicalCompound:moleculeId |
752183
|
|
chemicalCompound:mwFreebase |
288.322
|
|
chemicalCompound:alogp |
2.974
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
85.62
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.65
|
|
chemicalCompound:acdLogD |
3.65
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
288.322
|
|
chemicalCompound:chemblId |
CHEMBL1328299
|
|
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:3700640,
activity:3701258,
activity:3773948,
activity:3802951,
activity:3832965,
activity:3904929,
activity:3954661,
activity:4130067,
activity:4280377,
activity:4412227,
activity:4524478,
activity:4732047,
activity:4799756,
activity:4846647,
activity:4861710,
activity:4978438,
activity:5540631,
activity:5560198,
activity:5652329,
activity:5873228,
activity:6573925,
activity:6740817,
activity:6789715,
activity:7169166,
activity:7414379,
activity:7468760
|
