|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
|
|
chemicalCompound:standardIn... |
RFHAOTPXVQNOHP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F
|
|
chemicalCompound:molecularF... |
C13H12F2N6O
|
|
chemicalCompound:moleculeId |
13758
|
|
chemicalCompound:mwFreebase |
306.271
|
|
chemicalCompound:alogp |
0.75
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
81.64
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.013
|
|
chemicalCompound:acdLogP |
0.45
|
|
chemicalCompound:acdLogD |
0.45
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
306.271
|
|
chemicalCompound:acdMostBpk... |
2.944
|
|
chemicalCompound:chemblId |
CHEMBL106
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
FLUCONAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1988
|
|
chemicalCompound:activity |
activity:50588,
activity:50589,
activity:50590,
activity:50591,
activity:50592,
activity:50593,
activity:50594,
activity:50595,
activity:58002,
activity:58003,
activity:58004,
activity:58005,
activity:126205,
activity:126206,
activity:126207,
activity:126208,
activity:126209,
activity:126210,
activity:134477,
activity:134478,
activity:134479,
activity:134480,
activity:136909,
activity:139363,
activity:139945,
activity:139946,
activity:139947,
activity:139948,
activity:144747,
activity:144748,
activity:144749,
activity:144750,
activity:171849,
activity:171850,
activity:179916,
activity:179917,
activity:179918,
activity:179919,
activity:179920,
activity:179921,
activity:238486,
activity:238487,
activity:238488,
activity:238489,
activity:238490,
activity:238491,
activity:238492,
activity:238493,
activity:238494,
activity:238495,
activity:238496,
activity:238497,
activity:238498
|
