|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H25N3O6.ClH/c1-5-26-17-14(22(24)25)11-13-12(3)15(28-16(13)18(17)27-6-2)19(23)21-9-7-20(4)8-10-21;/h11H,5-10H2,1-4H3;1H
|
|
chemicalCompound:standardIn... |
VINXQNIXJXCFRZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CCOc1c(OCC)c2oc(C(=O)N3CCN(C)CC3)c(C)c2cc1[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C19H26ClN3O6
|
|
chemicalCompound:moleculeId |
804052
|
|
chemicalCompound:mwFreebase |
391.418
|
|
chemicalCompound:alogp |
2.841
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
100.97
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1
|
|
chemicalCompound:acdLogD |
0.929
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
427.879
|
|
chemicalCompound:acdMostBpk... |
6.647
|
|
chemicalCompound:chemblId |
CHEMBL1380168
|
|
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 |
|
