|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H14O3/c23-13-19-14-25-21-11-10-18(12-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
|
|
chemicalCompound:standardIn... |
QOBBBRPQAGZNPK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=CC1=COc2ccc(cc2C1=O)c3ccc(cc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C22 H14 O3
|
|
chemicalCompound:moleculeId |
138213
|
|
chemicalCompound:mwFreebase |
326.345
|
|
chemicalCompound:alogp |
4.036
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.343
|
|
chemicalCompound:acdLogD |
4.343
|
|
chemicalCompound:fullMwt |
326.345
|
|
chemicalCompound:chemblId |
CHEMBL87536
|
|
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 |
|
