|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H14O3/c22-17-10-4-8-14-16(12-13-6-2-1-3-7-13)15-9-5-11-18(23)20(15)21(24)19(14)17/h1-12,22-23H
|
|
chemicalCompound:standardIn... |
MMJUMIPKGYAQCT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2C(=Cc3ccccc3)c4cccc(O)c4C(=O)c12
|
|
chemicalCompound:molecularF... |
C21 H14 O3
|
|
chemicalCompound:moleculeId |
218522
|
|
chemicalCompound:mwFreebase |
314.334
|
|
chemicalCompound:alogp |
4.385
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
57.53
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.013
|
|
chemicalCompound:acdLogP |
5.084
|
|
chemicalCompound:acdLogD |
4.467
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.334
|
|
chemicalCompound:chemblId |
CHEMBL338715
|
|
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 |
|
