|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H
|
|
chemicalCompound:standardIn... |
VSTHNGLPHBTRMB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
|
|
chemicalCompound:molecularF... |
C17H20ClN3
|
|
chemicalCompound:moleculeId |
591746
|
|
chemicalCompound:mwFreebase |
265.353
|
|
chemicalCompound:alogp |
3.677
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
19.37
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.368
|
|
chemicalCompound:acdLogD |
1.092
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
301.814
|
|
chemicalCompound:acdMostBpk... |
9.968
|
|
chemicalCompound:chemblId |
CHEMBL593907
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
|
