|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H11NO2/c18-16(13-9-5-2-6-10-13)14-11-15(19-17-14)12-7-3-1-4-8-12/h1-11H
|
|
chemicalCompound:standardIn... |
MMPBSJHQGDKTRI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(c1ccccc1)c2cc(on2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H11NO2
|
|
chemicalCompound:moleculeId |
1034951
|
|
chemicalCompound:mwFreebase |
249.264
|
|
chemicalCompound:alogp |
3.926
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.1
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.08
|
|
chemicalCompound:acdLogD |
4.08
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
249.264
|
|
chemicalCompound:chemblId |
CHEMBL1611067
|
|
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:3792442,
activity:3816754,
activity:3846192,
activity:3886504,
activity:3903016,
activity:3942800,
activity:3955518,
activity:4052839,
activity:4069177,
activity:4088023,
activity:4153862,
activity:4281279,
activity:4574548,
activity:4708735,
activity:4768528,
activity:4811033,
activity:4826860,
activity:4891390,
activity:5358550,
activity:5424093,
activity:5551057,
activity:5589851,
activity:5650261,
activity:5802847,
activity:5890863,
activity:6626814,
activity:7180797,
activity:7414517,
activity:10427453
|
