|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
|
|
chemicalCompound:standardIn... |
HJLSLZFTEKNLFI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C8H13N3O4S
|
|
chemicalCompound:moleculeId |
222633
|
|
chemicalCompound:mwFreebase |
247.272
|
|
chemicalCompound:alogp |
0.149
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
106.16
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.293
|
|
chemicalCompound:acdLogD |
-0.293
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
247.272
|
|
chemicalCompound:acdMostBpk... |
2.296
|
|
chemicalCompound:chemblId |
CHEMBL1220
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
Yes
|
|
chemicalCompound:prefName |
TINIDAZOLE
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:134251,
activity:134252,
activity:134253,
activity:134254,
activity:134255,
activity:134256,
activity:134257,
activity:917506,
activity:917507,
activity:917508,
activity:917509,
activity:917510,
activity:917511,
activity:917512,
activity:917513,
activity:917514,
activity:917515,
activity:917516,
activity:917517,
activity:2357251,
activity:2364265,
activity:2576502,
activity:2576503,
activity:2672721,
activity:2672722,
activity:2978260,
activity:2990640,
activity:2992123,
activity:2993260,
activity:2993276,
activity:2994649,
activity:2996302,
activity:2996399,
activity:2996509,
activity:3217339,
activity:3217460,
activity:3644837,
activity:3882046,
activity:4364996,
activity:4440291,
activity:5080447,
activity:5080464,
activity:5080697,
activity:5083111,
activity:5083240,
activity:5230356,
activity:5230357,
activity:5230358,
activity:5230359,
activity:5230360,
activity:5230361,
activity:5230362,
activity:5230363,
activity:5230364,
activity:5988920,
activity:6010350,
activity:6013580,
activity:6016923
|
