|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H13NO3S2/c1-16-10-6-4-5-8(11(10)17-2)7-9-12(15)19-13(14-9)18-3/h4-7H,1-3H3/b9-7-
|
|
chemicalCompound:standardIn... |
WVTVUIGSWMLMDR-CLFYSBASSA-N
|
|
chemicalCompound:canonicalS... |
COc1cccc(\C=C\2/N=C(SC)SC2=O)c1OC
|
|
chemicalCompound:molecularF... |
C13H13NO3S2
|
|
chemicalCompound:moleculeId |
884234
|
|
chemicalCompound:mwFreebase |
295.377
|
|
chemicalCompound:alogp |
3.375
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
98.49
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.481
|
|
chemicalCompound:acdLogD |
2.481
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
295.377
|
|
chemicalCompound:chemblId |
CHEMBL1460350
|
|
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:4033049,
activity:4133763,
activity:4510741,
activity:4816018,
activity:4819859,
activity:4884756,
activity:4984747,
activity:5029806,
activity:5780027,
activity:6496481,
activity:6621031,
activity:7027581,
activity:7430695
|
