|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H20N2O2/c1-12(2)17-10-14(18-19)11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,17,19H,10-11H2,1-2H3/b18-14+
|
|
chemicalCompound:standardIn... |
ZSAGIFFJUVSAIV-NBVRZTHBSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NC\C(=N/O)\COc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C16 H20 N2 O2
|
|
chemicalCompound:moleculeId |
6542
|
|
chemicalCompound:mwFreebase |
272.342
|
|
chemicalCompound:alogp |
2.567
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
53.84
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.376
|
|
chemicalCompound:acdLogP |
3.376
|
|
chemicalCompound:acdLogD |
3.074
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
272.342
|
|
chemicalCompound:acdMostBpk... |
7.058
|
|
chemicalCompound:chemblId |
CHEMBL10073
|
|
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:activity |
activity:160461,
activity:160462,
activity:160463,
activity:160464,
activity:160465,
activity:160466,
activity:160467,
activity:160468,
activity:160469,
activity:160470,
activity:160471,
activity:160472,
activity:160473,
activity:160474,
activity:160475,
activity:160476,
activity:160477,
activity:160478,
activity:160479,
activity:160480,
activity:160481,
activity:160482,
activity:160483,
activity:160484,
activity:160485,
activity:160486,
activity:160487,
activity:160488,
activity:160489,
activity:160490,
activity:160491,
activity:160492,
activity:160493,
activity:160494,
activity:160495,
activity:160496,
activity:160497,
activity:160498,
activity:160499,
activity:160500,
activity:160501,
activity:160502,
activity:160503,
activity:160504,
activity:160505,
activity:160506,
activity:160507,
activity:160508,
activity:160509,
activity:160510
|
