|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
|
|
chemicalCompound:standardIn... |
VHOGYURTWQBHIL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F
|
|
chemicalCompound:molecularF... |
C12H9F3N2O2
|
|
chemicalCompound:moleculeId |
93895
|
|
chemicalCompound:mwFreebase |
270.207
|
|
chemicalCompound:alogp |
2.156
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
55.13
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.451
|
|
chemicalCompound:acdLogP |
2.287
|
|
chemicalCompound:acdLogD |
2.287
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.207
|
|
chemicalCompound:chemblId |
CHEMBL960
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
Yes
|
|
chemicalCompound:prefName |
LEFLUNOMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1998
|
|
chemicalCompound:activity |
activity:57172,
activity:57173,
activity:57174,
activity:57175,
activity:172876,
activity:172877,
activity:209204,
activity:209205,
activity:209206,
activity:209207,
activity:209208,
activity:220952,
activity:220953,
activity:220954,
activity:220955,
activity:347684,
activity:347685,
activity:347686,
activity:471292,
activity:471293,
activity:1110918,
activity:1110919,
activity:1110920,
activity:1110921,
activity:1110922,
activity:1110923,
activity:1110924,
activity:1110925,
activity:1110926,
activity:1110927,
activity:1110928,
activity:1110929,
activity:1110930,
activity:1110931,
activity:2085133,
activity:3218676,
activity:3492502,
activity:3655365,
activity:3663555,
activity:3693421,
activity:3695673,
activity:3696329,
activity:3765255,
activity:3765358,
activity:3769679,
activity:3775265,
activity:3780462,
activity:3808829,
activity:3822705,
activity:3833922,
activity:3860966,
activity:3874363,
activity:3881320,
activity:3892657,
activity:3903601,
activity:3905776
|
