|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
|
|
chemicalCompound:standardIn... |
QKNDCRMJDZLFEG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H12O3
|
|
chemicalCompound:moleculeId |
17908
|
|
chemicalCompound:mwFreebase |
252.265
|
|
chemicalCompound:alogp |
3.12
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
35.53
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.077
|
|
chemicalCompound:acdLogD |
4.077
|
|
chemicalCompound:fullMwt |
252.265
|
|
chemicalCompound:chemblId |
CHEMBL16782
|
|
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:37408,
activity:711471,
activity:1260581,
activity:1260582,
activity:1260583,
activity:1260584,
activity:1260585,
activity:1260586,
activity:2714969,
activity:2715032,
activity:2715056,
activity:3099616,
activity:3100835
|
