|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
|
|
chemicalCompound:standardIn... |
MINJAOUGXYRTEI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C33H28O8
|
|
chemicalCompound:moleculeId |
957513
|
|
chemicalCompound:mwFreebase |
552.571
|
|
chemicalCompound:alogp |
6.009
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
105.19
|
|
chemicalCompound:rtb |
16
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
8.14
|
|
chemicalCompound:acdLogD |
8.14
|
|
chemicalCompound:fullMwt |
552.571
|
|
chemicalCompound:chemblId |
CHEMBL1533629
|
|
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:3769490,
activity:4533542,
activity:4663534,
activity:4865084,
activity:6446993,
activity:6469837,
activity:6562315,
activity:6581038,
activity:6735640,
activity:6746869,
activity:6958535,
activity:7011243,
activity:7022395,
activity:7059131,
activity:7224194,
activity:7454488,
activity:7457379,
activity:7472042
|
