|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3
|
|
chemicalCompound:standardIn... |
PDDGMYIRJNWYMO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(CN(Cc2ccccn2)C(=O)CN3C(=O)COc4ccccc34)cc1
|
|
chemicalCompound:molecularF... |
C24H23N3O4
|
|
chemicalCompound:moleculeId |
1107673
|
|
chemicalCompound:mwFreebase |
417.457
|
|
chemicalCompound:alogp |
2.306
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
71.97
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.627
|
|
chemicalCompound:acdLogD |
2.627
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
417.457
|
|
chemicalCompound:acdMostBpk... |
4.358
|
|
chemicalCompound:chemblId |
CHEMBL1726942
|
|
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 |
|
