|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14O3/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3
|
|
chemicalCompound:standardIn... |
OBNQAKAHHNLJHT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2C(=O)C=C(Oc2c1)c3ccc(C)cc3
|
|
chemicalCompound:molecularF... |
C17H14O3
|
|
chemicalCompound:moleculeId |
17944
|
|
chemicalCompound:mwFreebase |
266.291
|
|
chemicalCompound:alogp |
3.606
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
35.53
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.633
|
|
chemicalCompound:acdLogD |
4.633
|
|
chemicalCompound:fullMwt |
266.291
|
|
chemicalCompound:chemblId |
CHEMBL17052
|
|
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 |
|
