|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H21NO7/c1-13(26)30-19-9-5-14-6-10-21(27)32-23(14)17(19)12-18-22(28)16-8-7-15(29-4)11-20(16)31-24(18)25(2)3/h5-11H,12H2,1-4H3
|
|
chemicalCompound:standardIn... |
DHZDWYNMNUJDSM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2C(=O)C(=C(Oc2c1)N(C)C)Cc3c(OC(=O)C)ccc4C=CC(=O)Oc34
|
|
chemicalCompound:molecularF... |
C24 H21 N O7
|
|
chemicalCompound:moleculeId |
431946
|
|
chemicalCompound:mwFreebase |
435.426
|
|
chemicalCompound:alogp |
3.892
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
91.37
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.366
|
|
chemicalCompound:acdLogD |
2.366
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
435.426
|
|
chemicalCompound:acdMostBpk... |
2.91
|
|
chemicalCompound:chemblId |
CHEMBL258835
|
|
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 |
|
