|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
|
|
chemicalCompound:standardIn... |
QEHTYBCDRGQJGN-SNAWJCMRSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(OC)cc(\C=C\c2ccc(O)c(OC)c2)c1
|
|
chemicalCompound:molecularF... |
C17H18O4
|
|
chemicalCompound:moleculeId |
195211
|
|
chemicalCompound:mwFreebase |
286.322
|
|
chemicalCompound:alogp |
3.525
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
47.92
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.017
|
|
chemicalCompound:acdLogP |
4.014
|
|
chemicalCompound:acdLogD |
4.013
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
286.322
|
|
chemicalCompound:chemblId |
CHEMBL119576
|
|
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:139707,
activity:139708,
activity:2174679,
activity:2174682,
activity:2174684,
activity:2174686,
activity:8288015,
activity:8335193,
activity:8350353,
activity:8369304,
activity:8385084,
activity:8471068,
activity:8504339,
activity:8540354,
activity:8632380,
activity:8692656,
activity:8712742,
activity:8739535,
activity:8807254,
activity:8841027,
activity:8892675,
activity:8939332,
activity:9006566,
activity:9035964,
activity:9125974,
activity:9132649,
activity:9224328,
activity:9256791,
activity:9325473,
activity:9399256,
activity:9401885,
activity:9474204,
activity:9736666,
activity:9751599,
activity:9826064,
activity:9856890,
activity:9898316,
activity:9928410,
activity:9961007,
activity:9980887,
activity:9996295,
activity:10115609,
activity:10137125,
activity:10175054,
activity:10248310,
activity:10291736,
activity:10337893,
activity:10408525,
activity:10419607,
activity:10529270,
activity:10561247,
activity:10637333,
activity:10694160,
activity:10735676,
activity:10762654
|
