|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H16N2/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18/h4-10H,1-3H3/p+1
|
|
chemicalCompound:standardIn... |
VXRLUFPGDHFNHT-UHFFFAOYSA-O
|
|
chemicalCompound:canonicalS... |
Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4[nH]c13
|
|
chemicalCompound:molecularF... |
C18 H17 N2
|
|
chemicalCompound:moleculeId |
17906
|
|
chemicalCompound:mwFreebase |
261.341
|
|
chemicalCompound:alogp |
4.808
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
19.66
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.245
|
|
chemicalCompound:acdLogD |
1.245
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
261.341
|
|
chemicalCompound:chemblId |
CHEMBL16756
|
|
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 |
activity:835948,
activity:835949,
activity:909498,
activity:909499,
activity:909500,
activity:909501,
activity:909502,
activity:930273,
activity:1140812,
activity:1140813,
activity:1140814,
activity:1140815
|
