|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
|
|
chemicalCompound:standardIn... |
YQNQNVDNTFHQSW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C12H9N3O5S
|
|
chemicalCompound:moleculeId |
338934
|
|
chemicalCompound:mwFreebase |
307.282
|
|
chemicalCompound:alogp |
1.398
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
142.35
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
6.179
|
|
chemicalCompound:acdLogP |
2.74
|
|
chemicalCompound:acdLogD |
1.561
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
307.282
|
|
chemicalCompound:chemblId |
CHEMBL1401
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
Yes
|
|
chemicalCompound:prefName |
NITAZOXANIDE
|
|
chemicalCompound:firstAppro... |
2002
|
|
chemicalCompound:activity |
activity:1681680,
activity:1681698,
activity:1681705,
activity:1847667,
activity:1847668,
activity:1847669,
activity:1847670,
activity:1847671,
activity:1847672,
activity:1847673,
activity:1847681,
activity:1847682,
activity:1847683,
activity:1847684,
activity:1847685,
activity:1847686,
activity:1847687,
activity:1847688,
activity:1847689,
activity:1847691,
activity:2129362,
activity:2129366,
activity:2129367,
activity:2129374,
activity:2129375,
activity:2129376,
activity:2576510,
activity:2576511,
activity:2677075,
activity:2700366,
activity:2700367,
activity:2700368,
activity:2700369,
activity:2700371,
activity:2700372,
activity:2700373,
activity:2700374,
activity:2700375,
activity:2700376,
activity:2700377,
activity:2700379,
activity:2700380,
activity:2700381,
activity:3303001,
activity:3303016,
activity:3303031,
activity:3303046,
activity:3454871,
activity:3454911,
activity:3454970,
activity:3531757,
activity:3531762,
activity:3531767,
activity:3531772,
activity:3531777,
activity:3531782,
activity:3531787,
activity:3531792,
activity:3531797,
activity:3531802,
activity:3531807
|
