|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
|
|
chemicalCompound:standardIn... |
JEOMZHWGIQNWFN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)c2cccc(c2)c3ccc(O)cc3
|
|
chemicalCompound:molecularF... |
C18H14O2
|
|
chemicalCompound:moleculeId |
106172
|
|
chemicalCompound:mwFreebase |
262.303
|
|
chemicalCompound:alogp |
4.382
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.541
|
|
chemicalCompound:acdLogP |
4.353
|
|
chemicalCompound:acdLogD |
4.349
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
262.303
|
|
chemicalCompound:chemblId |
CHEMBL66279
|
|
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:128530,
activity:433143,
activity:433144,
activity:433145,
activity:433146,
activity:433147,
activity:433148,
activity:433149,
activity:2479121,
activity:2479158,
activity:3829353,
activity:4452521,
activity:4570027,
activity:4900029,
activity:5437165,
activity:5665129,
activity:5872029,
activity:6498245,
activity:7009510,
activity:7047543,
activity:7092384,
activity:7300023,
activity:7416360
|
