|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H24O4/c1-4-25(22-11-8-12-24(17-22)30-19(3)28)26(20-9-6-5-7-10-20)21-13-15-23(16-14-21)29-18(2)27/h5-17H,4H2,1-3H3/b26-25-
|
|
chemicalCompound:standardIn... |
MGUYNUJGUWQCGH-QPLCGJKRSA-N
|
|
chemicalCompound:canonicalS... |
CC\C(=C(/c1ccccc1)\c2ccc(OC(=O)C)cc2)\c3cccc(OC(=O)C)c3
|
|
chemicalCompound:molecularF... |
C26 H24 O4
|
|
chemicalCompound:moleculeId |
86107
|
|
chemicalCompound:mwFreebase |
400.466
|
|
chemicalCompound:alogp |
5.732
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
52.6
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.73
|
|
chemicalCompound:acdLogD |
4.73
|
|
chemicalCompound:fullMwt |
400.466
|
|
chemicalCompound:chemblId |
CHEMBL417580
|
|
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 |
|
