|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H25NO7/c1-30-16-7-8-17-18(13-16)27-24(14-6-9-20(31-2)19(28)10-14)23(17)25(29)15-11-21(32-3)26(34-5)22(12-15)33-4/h6-13,27-28H,1-5H3
|
|
chemicalCompound:standardIn... |
IWFRYFJJWXLLQH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c([nH]c2c1)c4ccc(OC)c(O)c4
|
|
chemicalCompound:molecularF... |
C26 H25 N O7
|
|
chemicalCompound:moleculeId |
144514
|
|
chemicalCompound:mwFreebase |
463.479
|
|
chemicalCompound:alogp |
5.013
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
99.24
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.606
|
|
chemicalCompound:acdLogP |
1.346
|
|
chemicalCompound:acdLogD |
1.344
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
463.479
|
|
chemicalCompound:chemblId |
CHEMBL89341
|
|
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 |
|
