|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H16N2O3/c1-20-14-8-13(9-15(10-14)21-2)19-17-18-11-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
|
|
chemicalCompound:standardIn... |
RKNRDRPDYXCRPG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1
|
|
chemicalCompound:molecularF... |
C17H16N2O3
|
|
chemicalCompound:moleculeId |
298809
|
|
chemicalCompound:mwFreebase |
296.321
|
|
chemicalCompound:alogp |
3.596
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
56.52
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.379
|
|
chemicalCompound:acdLogD |
4.379
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
296.321
|
|
chemicalCompound:acdMostBpk... |
2.359
|
|
chemicalCompound:chemblId |
CHEMBL176553
|
|
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:1414221,
activity:1414222,
activity:7348684,
activity:8105848,
activity:8105849,
activity:8105850,
activity:8105851,
activity:8105852,
activity:8105853,
activity:8105854,
activity:8105855,
activity:8105856,
activity:8105857,
activity:8105858,
activity:8105859,
activity:8105860,
activity:8105861,
activity:8105862,
activity:8105863,
activity:8105864,
activity:8105865,
activity:8105866,
activity:8105867,
activity:8105868,
activity:8105869,
activity:8105870,
activity:8105871,
activity:8105872,
activity:8105873,
activity:8105874,
activity:8105875,
activity:8105876,
activity:8105877,
activity:8105878,
activity:8105879,
activity:8105880,
activity:8105881,
activity:8105882,
activity:8105883,
activity:8105884,
activity:8105885,
activity:8105886,
activity:8105887,
activity:8105888,
activity:8105889,
activity:8105890,
activity:8105891,
activity:8105892,
activity:8105893,
activity:8105894,
activity:8105895,
activity:8105896,
activity:8105897,
activity:8105898,
activity:8105899,
activity:8109996,
activity:8109997,
activity:8109998,
activity:8109999,
activity:8110000,
activity:8110001,
activity:8110002,
activity:8110003,
activity:8110004,
activity:8110005,
activity:8110006,
activity:8110007
|
