|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3
|
|
chemicalCompound:standardIn... |
JWJJBNLDNFXLNE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)c1ccc(C)cc1OCc2ccc(cc2)c3ocnn3
|
|
chemicalCompound:molecularF... |
C19H20N2O2
|
|
chemicalCompound:moleculeId |
881791
|
|
chemicalCompound:mwFreebase |
308.374
|
|
chemicalCompound:alogp |
4.376
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
48.15
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.373
|
|
chemicalCompound:acdLogD |
4.373
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
308.374
|
|
chemicalCompound:chemblId |
CHEMBL1457907
|
|
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:3633525,
activity:4011146,
activity:4082881,
activity:4211665,
activity:4359409,
activity:4414558,
activity:4524599,
activity:4769496,
activity:4807694,
activity:4821264,
activity:5432252,
activity:5650547,
activity:5653840,
activity:5660268,
activity:5680744,
activity:5789037,
activity:5870746,
activity:5973904,
activity:5983566,
activity:6649534,
activity:7067564,
activity:7254864,
activity:7501793
|
