|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
|
|
chemicalCompound:standardIn... |
XWXYUMMDTVBTOU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C12 H10 F3 N3 O4
|
|
chemicalCompound:moleculeId |
249414
|
|
chemicalCompound:mwFreebase |
317.221
|
|
chemicalCompound:alogp |
2.254
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
95.22
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.593
|
|
chemicalCompound:acdLogP |
1.936
|
|
chemicalCompound:acdLogD |
1.723
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
317.221
|
|
chemicalCompound:chemblId |
CHEMBL1274
|
|
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 |
No
|
|
chemicalCompound:prefName |
NILUTAMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1987
|
|
chemicalCompound:activity |
activity:57340,
activity:57341,
activity:1472449,
activity:1472450,
activity:2116537,
activity:2116538,
activity:2116539,
activity:3473096,
activity:3639870,
activity:3671909,
activity:3849649,
activity:3874023,
activity:3876231,
activity:3912221,
activity:3987108,
activity:4016258,
activity:4016391,
activity:4018433,
activity:4071793,
activity:4093496,
activity:4094543,
activity:4261441,
activity:4336208,
activity:4527154,
activity:4562815,
activity:4585191,
activity:4769709,
activity:4803511,
activity:4818790,
activity:4853906,
activity:4858198,
activity:4904589,
activity:4969553,
activity:4978112,
activity:5010058,
activity:5016878,
activity:5034853,
activity:5069456,
activity:5073269,
activity:5078429,
activity:5317646,
activity:5318597,
activity:5319548,
activity:5320185,
activity:5320186,
activity:5320187,
activity:5320188,
activity:5320189,
activity:5320190,
activity:5320191,
activity:5320192,
activity:5320193,
activity:5320194,
activity:5320195,
activity:5320196,
activity:5320197,
activity:5320198
|
