|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:16308_Ansaid_TRADE_NAME,
synonym:16308_BTS-18322_RESEARCH_CODE,
synonym:16308_Flurbiprofen_BAN,
synonym:16308_Flurbiprofen_FDA_ALTERNATIVE_NAME,
synonym:16308_Flurbiprofen_INN,
synonym:16308_Flurbiprofen_JAN,
synonym:16308_Flurbiprofen_TRADE_NAME,
synonym:16308_Flurbiprofen_USAN,
synonym:16308_Flurbiprofen_USP,
synonym:16308_Ocufen_OTHER,
synonym:16308_U-27182_RESEARCH_CODE
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
|
|
chemicalCompound:standardIn... |
SYTBZMRGLBWNTM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2
|
|
chemicalCompound:molecularF... |
C15H13FO2
|
|
chemicalCompound:moleculeId |
16308
|
|
chemicalCompound:mwFreebase |
244.261
|
|
chemicalCompound:alogp |
3.68
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.142
|
|
chemicalCompound:acdLogP |
3.656
|
|
chemicalCompound:acdLogD |
0.519
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
244.261
|
|
chemicalCompound:chemblId |
CHEMBL563
|
|
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 |
FLURBIPROFEN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1986
|
|
chemicalCompound:activity |
activity:220069,
activity:277859,
activity:421105,
activity:421106,
activity:473613,
activity:473614,
activity:473615,
activity:698631,
activity:698632,
activity:698633,
activity:698634,
activity:698635,
activity:873578,
activity:873579,
activity:873580,
activity:873581,
activity:929375,
activity:929376,
activity:929377,
activity:1067266,
activity:1501294,
activity:1501295,
activity:1504280,
activity:1605957,
activity:1605958,
activity:1605959,
activity:1605960,
activity:1605961,
activity:1605962,
activity:1605963,
activity:1605964,
activity:1605965,
activity:1605966,
activity:1605967,
activity:1605968,
activity:1605969,
activity:1605970,
activity:1605971,
activity:1605972,
activity:1605973,
activity:1605974,
activity:2055369,
activity:2055465,
activity:2058646,
activity:2069749,
activity:2069750,
activity:2099102,
activity:2099103,
activity:2099105,
activity:2099109,
activity:2099112,
activity:2357405,
activity:2365819
|
