|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H6O3S2/c1-5(13)8-4-7-9(14)6-2-3-16-11(6)10(15)12(7)17-8/h2-4H,1H3
|
|
chemicalCompound:standardIn... |
TYNBBESGBCIKHW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)c1cc2C(=O)c3ccsc3C(=O)c2s1
|
|
chemicalCompound:molecularF... |
C12 H6 O3 S2
|
|
chemicalCompound:moleculeId |
237090
|
|
chemicalCompound:mwFreebase |
262.304
|
|
chemicalCompound:alogp |
2.746
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
107.69
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.729
|
|
chemicalCompound:acdLogD |
1.729
|
|
chemicalCompound:fullMwt |
262.304
|
|
chemicalCompound:chemblId |
CHEMBL143105
|
|
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:108360,
activity:108361,
activity:108362,
activity:108363,
activity:108364,
activity:108365,
activity:108366,
activity:108367,
activity:108368,
activity:108369,
activity:108370,
activity:108371,
activity:108372,
activity:108373,
activity:108374,
activity:108375,
activity:108376,
activity:8244180,
activity:8290040,
activity:8339985,
activity:8355032,
activity:8374034,
activity:8394225,
activity:8554246,
activity:8556052,
activity:8616454,
activity:8632584,
activity:8693132,
activity:8704401,
activity:8737252,
activity:8744271,
activity:8841329,
activity:8857331,
activity:8868098,
activity:8897522,
activity:9007028,
activity:9040643,
activity:9071008,
activity:9117435,
activity:9137277,
activity:9152812,
activity:9261505,
activity:9263564,
activity:9330153,
activity:9399629,
activity:9402233,
activity:9478747,
activity:9485537,
activity:9522088,
activity:9654309,
activity:9732581,
activity:9756394,
activity:9826328,
activity:9861625,
activity:9903028,
activity:9933030,
activity:9970103,
activity:10033615,
activity:10044952,
activity:10051073,
activity:10137505,
activity:10148819,
activity:10223814,
activity:10252824,
activity:10281166,
activity:10342640,
activity:10366295,
activity:10398308,
activity:10413192
|
