|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H16O4/c1-18-13-6-4-11(5-7-13)16(17)12-8-14(19-2)10-15(9-12)20-3/h4-10H,1-3H3
|
|
chemicalCompound:standardIn... |
ZICXUWQPVOZNHU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C(=O)c2cc(OC)cc(OC)c2
|
|
chemicalCompound:molecularF... |
C16H16O4
|
|
chemicalCompound:moleculeId |
137628
|
|
chemicalCompound:mwFreebase |
272.296
|
|
chemicalCompound:alogp |
3.184
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
44.76
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.235
|
|
chemicalCompound:acdLogD |
3.235
|
|
chemicalCompound:fullMwt |
272.296
|
|
chemicalCompound:chemblId |
CHEMBL86124
|
|
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 |
activity:1003727,
activity:1003728,
activity:1003729,
activity:1003730,
activity:1003731,
activity:1003732,
activity:1003733,
activity:1003734,
activity:1003735,
activity:1003736,
activity:1003737,
activity:1003738,
activity:1003739,
activity:1003740,
activity:1003741,
activity:1003742,
activity:1003743,
activity:1003744,
activity:1003745,
activity:1003746,
activity:1003747,
activity:3254867,
activity:3254951
|
