|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H10O3/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10/h3-5,12H,1-2H3
|
|
chemicalCompound:standardIn... |
QEEXKPYVMOIPKR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1=C(C)c2ccc(O)cc2OC1=O
|
|
chemicalCompound:molecularF... |
C11H10O3
|
|
chemicalCompound:moleculeId |
21796
|
|
chemicalCompound:mwFreebase |
190.195
|
|
chemicalCompound:alogp |
2.55
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.105
|
|
chemicalCompound:acdLogP |
2.847
|
|
chemicalCompound:acdLogD |
2.769
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
190.195
|
|
chemicalCompound:chemblId |
CHEMBL19240
|
|
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:83217,
activity:83218,
activity:224625,
activity:224626,
activity:463458,
activity:463459,
activity:463460,
activity:463461,
activity:3074265,
activity:6335716,
activity:6335722,
activity:6335723,
activity:6335742,
activity:6335759,
activity:6335773,
activity:6335776,
activity:6335796,
activity:6335816,
activity:6335849,
activity:6336470
|
