|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
|
|
chemicalCompound:standardIn... |
OUYFSZNFCWTUFO-MHWRWJLKSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(\C=C/2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
|
|
chemicalCompound:molecularF... |
C19H17NO4S2
|
|
chemicalCompound:moleculeId |
914900
|
|
chemicalCompound:mwFreebase |
387.473
|
|
chemicalCompound:alogp |
4.355
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
116.39
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.649
|
|
chemicalCompound:acdLogP |
3.592
|
|
chemicalCompound:acdLogD |
3.569
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
387.473
|
|
chemicalCompound:chemblId |
CHEMBL1491016
|
|
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:3630990,
activity:3735983,
activity:3768973,
activity:3775723,
activity:4205973,
activity:4338480,
activity:4360124,
activity:4413297,
activity:4432923,
activity:4538460,
activity:4706023,
activity:4733262,
activity:4745445,
activity:4888552,
activity:5029004,
activity:5061127,
activity:5351613,
activity:5397482,
activity:5584276,
activity:5706018,
activity:5798837,
activity:5869007,
activity:6467202,
activity:6540808,
activity:6611614,
activity:6739421,
activity:6775124,
activity:6865205,
activity:7022599,
activity:7162138,
activity:7207559,
activity:7305182,
activity:7406989,
activity:7526718,
activity:9355664,
activity:9542379,
activity:9799537,
activity:10423342,
activity:10564543,
activity:10572951,
activity:10629771,
activity:10651354
|
