|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H
|
|
chemicalCompound:standardIn... |
DIOIOSKKIYDRIQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
|
|
chemicalCompound:molecularF... |
C17H19ClFN3O3
|
|
chemicalCompound:moleculeId |
210388
|
|
chemicalCompound:mwFreebase |
331.342
|
|
chemicalCompound:alogp |
-1.27
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
72.88
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
6.429
|
|
chemicalCompound:acdLogP |
1.625
|
|
chemicalCompound:acdLogD |
-0.291
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
367.802
|
|
chemicalCompound:acdMostBpk... |
8.678
|
|
chemicalCompound:chemblId |
CHEMBL1202
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CIPROFLOXACIN HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1987
|
|
chemicalCompound:activity |
activity:233544,
activity:233545,
activity:233546,
activity:233547,
activity:233548,
activity:233549,
activity:233550,
activity:233551,
activity:233552,
activity:233553,
activity:233554,
activity:233555,
activity:233556,
activity:233557,
activity:233558,
activity:233559,
activity:233560,
activity:233561,
activity:233562,
activity:233563,
activity:233564,
activity:233565,
activity:233566,
activity:233567,
activity:233568,
activity:233569,
activity:233570,
activity:233571,
activity:233572,
activity:233573,
activity:233574,
activity:233575,
activity:249725,
activity:249726,
activity:249727,
activity:249728,
activity:249729,
activity:249730,
activity:249731,
activity:249732,
activity:249733,
activity:249734,
activity:249735,
activity:249736,
activity:249737,
activity:249738,
activity:249739,
activity:249740,
activity:249741,
activity:249742,
activity:249743,
activity:249744,
activity:249745
|
