|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14O2/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h3-10H,1-2H3
|
|
chemicalCompound:standardIn... |
JAFAHOKDGKCLNO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cccc(c1)C2=CC(=O)c3cc(C)ccc3O2
|
|
chemicalCompound:molecularF... |
C17H14O2
|
|
chemicalCompound:moleculeId |
226626
|
|
chemicalCompound:mwFreebase |
250.292
|
|
chemicalCompound:alogp |
4.108
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.742
|
|
chemicalCompound:acdLogD |
4.742
|
|
chemicalCompound:fullMwt |
250.292
|
|
chemicalCompound:chemblId |
CHEMBL137498
|
|
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:697925,
activity:697926,
activity:2252352,
activity:3710974,
activity:3746791,
activity:3764875,
activity:3931863,
activity:4067817,
activity:4191663,
activity:4398188,
activity:4542263,
activity:4789067,
activity:4822476,
activity:4878678,
activity:5006203,
activity:5041349,
activity:5074710,
activity:7552441
|
