|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)
|
|
chemicalCompound:standardIn... |
RUXPNBWPIRDVTH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3
|
|
chemicalCompound:molecularF... |
C16 H19 F N4 O3
|
|
chemicalCompound:moleculeId |
237
|
|
chemicalCompound:mwFreebase |
334.345
|
|
chemicalCompound:alogp |
-2.028
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
76.12
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
6.171
|
|
chemicalCompound:acdLogP |
0.19
|
|
chemicalCompound:acdLogD |
-0.681
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
334.345
|
|
chemicalCompound:acdMostBpk... |
7.413
|
|
chemicalCompound:chemblId |
CHEMBL6231
|
|
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 |
AMIFLOXACIN
|
|
chemicalCompound:activity |
activity:61801,
activity:61802,
activity:61803,
activity:61804,
activity:61805,
activity:61806,
activity:61807,
activity:61808,
activity:61809,
activity:61810,
activity:61811,
activity:61812,
activity:61813,
activity:61814,
activity:228663,
activity:228664,
activity:228665,
activity:228666,
activity:308412,
activity:308413,
activity:308414,
activity:308415,
activity:308416,
activity:308417,
activity:308418,
activity:308419,
activity:308420,
activity:308421,
activity:308422,
activity:308423,
activity:308424,
activity:308425,
activity:308426,
activity:308427,
activity:308428,
activity:308429,
activity:672633,
activity:787743,
activity:787744,
activity:787745,
activity:787746,
activity:787747,
activity:787748,
activity:1151164,
activity:1234328,
activity:1234329,
activity:1234330,
activity:1234331,
activity:1234332,
activity:1234333,
activity:1234334,
activity:1234335,
activity:5080968,
activity:5081217,
activity:5081286,
activity:5081347,
activity:5082124,
activity:5082269,
activity:5083071,
activity:5083119
|
