|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H22O10/c21-13-7-11(8-14(22)17(13)25)19(27)29-5-3-1-2-4-6-30-20(28)12-9-15(23)18(26)16(24)10-12/h7-10,21-26H,1-6H2
|
|
chemicalCompound:standardIn... |
KKMQNWAUGKFRNL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cc(cc(O)c1O)C(=O)OCCCCCCOC(=O)c2cc(O)c(O)c(O)c2
|
|
chemicalCompound:molecularF... |
C20H22O10
|
|
chemicalCompound:moleculeId |
645868
|
|
chemicalCompound:mwFreebase |
422.383
|
|
chemicalCompound:alogp |
3.292
|
|
chemicalCompound:hba |
10
|
|
chemicalCompound:hbd |
6
|
|
chemicalCompound:psa |
173.98
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.627
|
|
chemicalCompound:acdLogP |
2.851
|
|
chemicalCompound:acdLogD |
2.567
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
422.383
|
|
chemicalCompound:chemblId |
CHEMBL1164468
|
|
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:3324425,
activity:3324461,
activity:3324497,
activity:3324533,
activity:3345447,
activity:3345448,
activity:3345470,
activity:3345501,
activity:3345517,
activity:3345545,
activity:3345581,
activity:3345617,
activity:3345653,
activity:3345689,
activity:3345725
|
