|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
|
|
chemicalCompound:standardIn... |
NOCJXYPHIIZEHN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4
|
|
chemicalCompound:molecularF... |
C21 H19 F2 N3 O3
|
|
chemicalCompound:moleculeId |
205
|
|
chemicalCompound:mwFreebase |
399.391
|
|
chemicalCompound:alogp |
0.246
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
64.09
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
6.171
|
|
chemicalCompound:acdLogP |
0.843
|
|
chemicalCompound:acdLogD |
-0.455
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
399.391
|
|
chemicalCompound:acdMostBpk... |
7.413
|
|
chemicalCompound:chemblId |
CHEMBL6259
|
|
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 |
DIFLOXACIN
|
|
chemicalCompound:activity |
activity:47714,
activity:47715,
activity:47716,
activity:47717,
activity:47718,
activity:47719,
activity:47720,
activity:47721,
activity:47722,
activity:47723,
activity:47724,
activity:47725,
activity:47726,
activity:47727,
activity:47728,
activity:47729,
activity:47730,
activity:47731,
activity:47732,
activity:47733,
activity:47734,
activity:47735,
activity:158958,
activity:158959,
activity:230301,
activity:230302,
activity:230303,
activity:230304,
activity:230305,
activity:230306,
activity:230307,
activity:230308,
activity:230309,
activity:230310,
activity:230311,
activity:291460,
activity:291461,
activity:291462,
activity:291463,
activity:622608,
activity:622609,
activity:622610,
activity:622611,
activity:622612,
activity:622613,
activity:622614,
activity:622615,
activity:622616,
activity:622617,
activity:622618,
activity:622619,
activity:622620,
activity:622621,
activity:653724,
activity:708618,
activity:1179933,
activity:1835813,
activity:1835828,
activity:1835843,
activity:1835858,
activity:1835873,
activity:1835888,
activity:1835903,
activity:1835918
|
