|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H15NO2/c1-17-14-8-7-12(10-15(14)18-2)5-6-13-4-3-9-16-11-13/h3-11H,1-2H3/b6-5+
|
|
chemicalCompound:standardIn... |
AKUYGGPOBONQMT-AATRIKPKSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(\C=C\c2cccnc2)cc1OC
|
|
chemicalCompound:molecularF... |
C15H15NO2
|
|
chemicalCompound:moleculeId |
106119
|
|
chemicalCompound:mwFreebase |
241.285
|
|
chemicalCompound:alogp |
2.632
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
31.35
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.682
|
|
chemicalCompound:acdLogD |
2.679
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
241.285
|
|
chemicalCompound:acdMostBpk... |
5.145
|
|
chemicalCompound:chemblId |
CHEMBL65911
|
|
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 |
|
