|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
|
|
chemicalCompound:standardIn... |
ZLOXYEZYWCTXHU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1
|
|
chemicalCompound:molecularF... |
C8H5N3O3S2
|
|
chemicalCompound:moleculeId |
633554
|
|
chemicalCompound:mwFreebase |
255.274
|
|
chemicalCompound:alogp |
1.584
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
144.29
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
5.429
|
|
chemicalCompound:acdLogP |
3.067
|
|
chemicalCompound:acdLogD |
1.378
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
255.274
|
|
chemicalCompound:chemblId |
CHEMBL1082354
|
|
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:prefName |
TENONITROZOLE
|
|
chemicalCompound:activity |
activity:3303005,
activity:3303020,
activity:3303035,
activity:3303050,
activity:3840283,
activity:3849642,
activity:3904246,
activity:4080251,
activity:4091340,
activity:4109507,
activity:4249576,
activity:4282821,
activity:4345723,
activity:4446991,
activity:4577160,
activity:4577972,
activity:4748931,
activity:4767165,
activity:4899824,
activity:4958934,
activity:5338939,
activity:5467664,
activity:5626592,
activity:5934084,
activity:6451232,
activity:6466147,
activity:6539042,
activity:6777487,
activity:6922900,
activity:6977408,
activity:7038700,
activity:7142218,
activity:7174653,
activity:7235116,
activity:7251812,
activity:7299018,
activity:7378240,
activity:7546229,
activity:9351266,
activity:9967675,
activity:10302246,
activity:10410579
|
