|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H15NO3/c1-20-11-7-8-13(17(9-11)21-2)15-10-16(19)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3,(H,18,19)
|
|
chemicalCompound:standardIn... |
QWXAGJWYDYRTSP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(C2=CC(=O)c3ccccc3N2)c(OC)c1
|
|
chemicalCompound:molecularF... |
C17H15NO3
|
|
chemicalCompound:moleculeId |
1310545
|
|
chemicalCompound:mwFreebase |
281.306
|
|
chemicalCompound:alogp |
2.928
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
47.56
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.249
|
|
chemicalCompound:acdLogD |
3.249
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
281.306
|
|
chemicalCompound:acdMostBpk... |
1.327
|
|
chemicalCompound:chemblId |
CHEMBL1989254
|
|
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:8245397,
activity:8299081,
activity:8314248,
activity:8400190,
activity:8506303,
activity:8519726,
activity:8596450,
activity:8723475,
activity:8768070,
activity:8770666,
activity:8804692,
activity:8903296,
activity:8923882,
activity:9042676,
activity:9071707,
activity:9094917,
activity:9097097,
activity:9168401,
activity:9183956,
activity:9232268,
activity:9287559,
activity:9356083,
activity:9359472,
activity:9366457,
activity:9450242,
activity:9651769,
activity:9701408,
activity:9711854,
activity:9791805,
activity:9862813,
activity:9891794,
activity:9921323,
activity:9963376,
activity:10080665,
activity:10101255,
activity:10108726,
activity:10172177,
activity:10245580,
activity:10322018,
activity:10368376,
activity:10438231,
activity:10493868,
activity:10506153,
activity:10567917,
activity:10591124,
activity:10671403,
activity:10700097,
activity:10720242,
activity:10793075
|
