|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
|
|
chemicalCompound:standardIn... |
CHADEQDQBURGHL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1
|
|
chemicalCompound:molecularF... |
C24H16O7
|
|
chemicalCompound:moleculeId |
915928
|
|
chemicalCompound:mwFreebase |
416.38
|
|
chemicalCompound:alogp |
3.756
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
88.13
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.2
|
|
chemicalCompound:acdLogD |
3.2
|
|
chemicalCompound:fullMwt |
416.38
|
|
chemicalCompound:chemblId |
CHEMBL1492044
|
|
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:3606471,
activity:3628840,
activity:3653255,
activity:3736064,
activity:3755443,
activity:3786915,
activity:4054288,
activity:4195823,
activity:4290155,
activity:4365180,
activity:4399416,
activity:4583238,
activity:4592334,
activity:4733343,
activity:4745526,
activity:5396572,
activity:5513692,
activity:5567721,
activity:5569714,
activity:5657976,
activity:5936433,
activity:5964552,
activity:6459164,
activity:6461755,
activity:6680550,
activity:6763079,
activity:6888930,
activity:6993408,
activity:6997508,
activity:7067360,
activity:7070906,
activity:7230962,
activity:7552225
|
