|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H15NO2/c1-12-7-13(2)9-15(8-12)19-10-14-11-21-17-6-4-3-5-16(17)18(14)20/h3-11H,1-2H3/b19-10+
|
|
chemicalCompound:standardIn... |
ZVCIOOQZBBVNSU-VXLYETTFSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(C)cc(c1)\N=C\C2=COc3ccccc3C2=O
|
|
chemicalCompound:molecularF... |
C18H15NO2
|
|
chemicalCompound:moleculeId |
700857
|
|
chemicalCompound:mwFreebase |
277.317
|
|
chemicalCompound:alogp |
3.809
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
38.65
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.457
|
|
chemicalCompound:acdLogD |
3.457
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
277.317
|
|
chemicalCompound:acdMostBpk... |
2.563
|
|
chemicalCompound:chemblId |
CHEMBL1241636
|
|
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 |
|
