|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14O4/c1-10-3-8-14-13(9-10)15(18)16(19)17(21-14)11-4-6-12(20-2)7-5-11/h3-9,19H,1-2H3
|
|
chemicalCompound:standardIn... |
XBEINZKGCYZUQJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=C(O)C(=O)c3cc(C)ccc3O2
|
|
chemicalCompound:molecularF... |
C17H14O4
|
|
chemicalCompound:moleculeId |
121092
|
|
chemicalCompound:mwFreebase |
282.291
|
|
chemicalCompound:alogp |
3.068
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
55.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.851
|
|
chemicalCompound:acdLogP |
4.116
|
|
chemicalCompound:acdLogD |
4.101
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
282.291
|
|
chemicalCompound:chemblId |
CHEMBL75588
|
|
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:989543,
activity:2328573,
activity:2328669,
activity:2328730,
activity:2329861,
activity:2329958,
activity:8231304,
activity:8241709,
activity:8301720,
activity:8362697,
activity:8396459,
activity:8460529,
activity:8484975,
activity:8545529,
activity:8569978,
activity:8634852,
activity:8646519,
activity:8717716,
activity:8755472,
activity:8766887,
activity:8852887,
activity:8859719,
activity:8890754,
activity:8958670,
activity:8995785,
activity:9059156,
activity:9062245,
activity:9084780,
activity:9130894,
activity:9175609,
activity:9277154,
activity:9283875,
activity:9347932,
activity:9417635,
activity:9420232,
activity:9496627,
activity:9503244,
activity:9509914,
activity:9671440,
activity:9708115,
activity:9746196,
activity:9775662,
activity:9854987,
activity:9884026,
activity:9922042,
activity:10025223,
activity:10025281,
activity:10040762,
activity:10068668,
activity:10140120,
activity:10246163,
activity:10270380,
activity:10272857,
activity:10364936,
activity:10388513,
activity:10434815,
activity:10458206,
activity:10486062,
activity:10583350,
activity:10665584,
activity:10667923,
activity:10692147,
activity:10765376,
activity:10789473
|
