|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H16O3/c23-22-14-20(17-9-5-2-6-10-17)19-12-11-18(13-21(19)25-22)24-15-16-7-3-1-4-8-16/h1-14H,15H2
|
|
chemicalCompound:standardIn... |
DQQCMCHMGYUJJS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1Oc2cc(OCc3ccccc3)ccc2C(=C1)c4ccccc4
|
|
chemicalCompound:molecularF... |
C22 H16 O3
|
|
chemicalCompound:moleculeId |
238676
|
|
chemicalCompound:mwFreebase |
328.361
|
|
chemicalCompound:alogp |
4.945
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
35.53
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.706
|
|
chemicalCompound:acdLogD |
4.706
|
|
chemicalCompound:fullMwt |
328.361
|
|
chemicalCompound:chemblId |
CHEMBL145374
|
|
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 |
|
