|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
|
|
chemicalCompound:standardIn... |
JNMRHUJNCSQMMB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
|
|
chemicalCompound:molecularF... |
C9H9N3O2S2
|
|
chemicalCompound:moleculeId |
2095
|
|
chemicalCompound:mwFreebase |
255.317
|
|
chemicalCompound:alogp |
0.568
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
121.7
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.24
|
|
chemicalCompound:acdLogP |
0.05
|
|
chemicalCompound:acdLogD |
-0.335
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
255.317
|
|
chemicalCompound:acdMostBpk... |
2.192
|
|
chemicalCompound:chemblId |
CHEMBL437
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
SULFATHIAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:220046,
activity:220047,
activity:220048,
activity:453262,
activity:474191,
activity:499716,
activity:743504,
activity:949053,
activity:949054,
activity:949055,
activity:949056,
activity:949057,
activity:2591923,
activity:2591924,
activity:2592008,
activity:2592009,
activity:3549503,
activity:3549504,
activity:3549505,
activity:3549506,
activity:3549507,
activity:3549508,
activity:3549509,
activity:3658597,
activity:3668064,
activity:3720599,
activity:3778960,
activity:3896412,
activity:3931955,
activity:4193745,
activity:4585798,
activity:4848294,
activity:4868936,
activity:4876668,
activity:4902130,
activity:4976565,
activity:4984499,
activity:5020601,
activity:5033400,
activity:5531623,
activity:5960222,
activity:5999765,
activity:6003845,
activity:6054965,
activity:6066636,
activity:6069799,
activity:6645087,
activity:7051217,
activity:7566005,
activity:7566972,
activity:7818636,
activity:7818637,
activity:7818638,
activity:7818639,
activity:7818640,
activity:7818641,
activity:7818642,
activity:7818643
|
