|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:241_BAY-Q-3939_RESEARCH_CODE,
synonym:241_Ciloxan_OTHER,
synonym:241_Ciloxan_TRADE_NAME,
synonym:241_Cipro_TRADE_NAME,
synonym:241_Ciprobay_TRADE_NAME,
synonym:241_Ciprofloxacin_BAN,
synonym:241_Ciprofloxacin_FDA_ALTERNATIVE_NAME,
synonym:241_Ciprofloxacin_INN,
synonym:241_Ciprofloxacin_TRADE_NAME,
synonym:241_Ciprofloxacin_USAN,
synonym:241_Ciprofloxacin_USP,
synonym:241_Velmonit_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H18FN3O3/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)
|
|
chemicalCompound:standardIn... |
MYSWGUAQZAJSOK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
|
|
chemicalCompound:molecularF... |
C17H18FN3O3
|
|
chemicalCompound:moleculeId |
241
|
|
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 |
331.342
|
|
chemicalCompound:acdMostBpk... |
8.678
|
|
chemicalCompound:chemblId |
CHEMBL8
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CIPROFLOXACIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1986
|
|
chemicalCompound:activity |
activity:37906,
activity:37907,
activity:37908,
activity:37909,
activity:37910,
activity:37911,
activity:37912,
activity:37913,
activity:37914,
activity:37915,
activity:37916,
activity:37917,
activity:37918,
activity:37919,
activity:37920,
activity:37921,
activity:37922,
activity:37923,
activity:37924,
activity:37925,
activity:37926,
activity:37927,
activity:37928,
activity:37929,
activity:54116,
activity:54117,
activity:54118,
activity:54119,
activity:54120,
activity:54121,
activity:54122,
activity:54123,
activity:54124,
activity:54125,
activity:54126,
activity:54127,
activity:54128,
activity:54129,
activity:54130,
activity:54131,
activity:54132,
activity:54133,
activity:54134,
activity:54135,
activity:54136,
activity:54137,
activity:59554,
activity:59555,
activity:59556,
activity:59557,
activity:59558
|
