|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H30N2O8/c1-29-17-11-15(12-18(30-2)21(17)33-5)23(27)25-7-9-26(10-8-25)24(28)16-13-19(31-3)22(34-6)20(14-16)32-4/h11-14H,7-10H2,1-6H3
|
|
chemicalCompound:standardIn... |
RSMOCRIXTHPCBX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(cc(OC)c1OC)C(=O)N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3
|
|
chemicalCompound:molecularF... |
C24 H30 N2 O8
|
|
chemicalCompound:moleculeId |
183
|
|
chemicalCompound:mwFreebase |
474.504
|
|
chemicalCompound:alogp |
2.026
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
96
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.474
|
|
chemicalCompound:acdLogD |
0.474
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
474.504
|
|
chemicalCompound:chemblId |
CHEMBL6244
|
|
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 |
|
