|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)
|
|
chemicalCompound:standardIn... |
XBJBPGROQZJDOJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O
|
|
chemicalCompound:molecularF... |
C17H18F3N3O3
|
|
chemicalCompound:moleculeId |
210
|
|
chemicalCompound:mwFreebase |
369.338
|
|
chemicalCompound:alogp |
-0.947
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
64.09
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
-0.54
|
|
chemicalCompound:acdLogP |
1.839
|
|
chemicalCompound:acdLogD |
-0.269
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
369.338
|
|
chemicalCompound:acdMostBpk... |
7.151
|
|
chemicalCompound:chemblId |
CHEMBL6273
|
|
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 |
FLEROXACIN
|
|
chemicalCompound:activity |
activity:39311,
activity:39312,
activity:39313,
activity:39314,
activity:39315,
activity:39316,
activity:39317,
activity:39318,
activity:39319,
activity:39320,
activity:39321,
activity:39322,
activity:39323,
activity:39324,
activity:82859,
activity:82860,
activity:82861,
activity:105974,
activity:105975,
activity:105976,
activity:105977,
activity:105978,
activity:105979,
activity:105980,
activity:105981,
activity:105982,
activity:105983,
activity:105984,
activity:105985,
activity:105986,
activity:105987,
activity:105988,
activity:105989,
activity:105990,
activity:105991,
activity:105992,
activity:105993,
activity:105994,
activity:105995,
activity:105996,
activity:105997,
activity:105998,
activity:607137,
activity:607138,
activity:607139,
activity:607140,
activity:607141,
activity:607142,
activity:607143,
activity:607144,
activity:607145,
activity:607146,
activity:607147,
activity:607148,
activity:607149,
activity:607150,
activity:607151,
activity:607152,
activity:607153,
activity:607154,
activity:607155
|
