|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
|
|
chemicalCompound:standardIn... |
YZQRAQOSAPWELU-UHFFFAOYSA-O
|
|
chemicalCompound:canonicalS... |
Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13
|
|
chemicalCompound:molecularF... |
C18 H17 N2 O
|
|
chemicalCompound:moleculeId |
17882
|
|
chemicalCompound:mwFreebase |
277.34
|
|
chemicalCompound:alogp |
4.566
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
39.9
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.878
|
|
chemicalCompound:acdLogP |
0.609
|
|
chemicalCompound:acdLogD |
0.638
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
277.34
|
|
chemicalCompound:chemblId |
CHEMBL16699
|
|
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:prefName |
ELLIPTINIUM
|
|
chemicalCompound:activity |
activity:295577,
activity:556977,
activity:724175,
activity:724176,
activity:724177,
activity:724178,
activity:724179,
activity:724180,
activity:724181,
activity:724182,
activity:857861,
activity:857862,
activity:857863,
activity:857864,
activity:918569,
activity:926193,
activity:926194,
activity:926195,
activity:926196,
activity:926197,
activity:1132793,
activity:1132794,
activity:1132795,
activity:1132796,
activity:1132797,
activity:1132798,
activity:1611787,
activity:1611788,
activity:1611789,
activity:1611790,
activity:1611791,
activity:1611792
|
