|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10O4S2/c1-6(18-7(2)15)10-5-9-11(16)8-3-4-19-13(8)12(17)14(9)20-10/h3-6H,1-2H3
|
|
chemicalCompound:standardIn... |
LFJAPIMLXGZSSZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(OC(=O)C)c1cc2C(=O)c3ccsc3C(=O)c2s1
|
|
chemicalCompound:molecularF... |
C14 H10 O4 S2
|
|
chemicalCompound:moleculeId |
236981
|
|
chemicalCompound:mwFreebase |
306.357
|
|
chemicalCompound:alogp |
3.051
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
116.91
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.422
|
|
chemicalCompound:acdLogD |
1.422
|
|
chemicalCompound:fullMwt |
306.357
|
|
chemicalCompound:chemblId |
CHEMBL142296
|
|
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:118840,
activity:118841,
activity:118842,
activity:118843,
activity:118844,
activity:118845,
activity:118846,
activity:118847,
activity:118848,
activity:118849,
activity:118850,
activity:118851,
activity:118852,
activity:118853,
activity:118854,
activity:118855,
activity:118856,
activity:8246905,
activity:8279521,
activity:8365340,
activity:8397458,
activity:8438727,
activity:8472374,
activity:8505612,
activity:8550453,
activity:8557337,
activity:8631275,
activity:8633861,
activity:8654530,
activity:8692122,
activity:8747351,
activity:8844362,
activity:8847180,
activity:8895930,
activity:8929344,
activity:8959415,
activity:9001140,
activity:9055364,
activity:9096333,
activity:9134118,
activity:9155910,
activity:9176576,
activity:9269092,
activity:9289106,
activity:9348860,
activity:9414177,
activity:9416493,
activity:9493013,
activity:9562167,
activity:9568232,
activity:9663908,
activity:9713490,
activity:9798844,
activity:9835848,
activity:9855730,
activity:9927230,
activity:9960010,
activity:9979932,
activity:10026099,
activity:10103823,
activity:10134484,
activity:10136348,
activity:10222577,
activity:10247067,
activity:10266765,
activity:10277866,
activity:10332462,
activity:10374416,
activity:10454547
|
