|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
|
|
chemicalCompound:standardIn... |
QHKYPYXTTXKZST-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4
|
|
chemicalCompound:molecularF... |
C20H14FN3O
|
|
chemicalCompound:moleculeId |
19081
|
|
chemicalCompound:mwFreebase |
331.343
|
|
chemicalCompound:alogp |
4.211
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
61.8
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.748
|
|
chemicalCompound:acdLogP |
2.93
|
|
chemicalCompound:acdLogD |
2.92
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
331.343
|
|
chemicalCompound:acdMostBpk... |
9.367
|
|
chemicalCompound:chemblId |
CHEMBL278041
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
SB-202190
|
|
chemicalCompound:activity |
activity:582612,
activity:582613,
activity:912487,
activity:912488,
activity:1651072,
activity:1651083,
activity:1651094,
activity:1651105,
activity:1651116,
activity:1651127,
activity:1651138,
activity:1651149,
activity:1651160,
activity:1651171,
activity:1651182,
activity:1651193,
activity:1651204,
activity:1651215,
activity:1651226,
activity:1651237,
activity:1651248,
activity:1651259,
activity:1651270,
activity:1651281,
activity:1651292,
activity:1651303,
activity:1651314,
activity:1651325,
activity:1651336,
activity:1651347,
activity:1651358,
activity:1651369,
activity:1651380,
activity:1651391,
activity:1651402,
activity:1651413,
activity:1651424,
activity:1651435,
activity:1651446,
activity:1651457,
activity:1651468,
activity:1651479,
activity:1651490,
activity:1651501,
activity:1651512,
activity:1651523,
activity:1651534,
activity:1651545,
activity:1651556,
activity:1651567,
activity:1651578,
activity:1651589,
activity:1651600,
activity:1651611,
activity:1651622,
activity:1651633,
activity:1651644,
activity:1651655,
activity:1651666,
activity:1651677,
activity:1651688,
activity:1651699,
activity:1651710,
activity:1651721
|
