|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
|
|
chemicalCompound:standardIn... |
KSCQDDRPFHTIRL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C
|
|
chemicalCompound:molecularF... |
C17H22ClN3
|
|
chemicalCompound:moleculeId |
1036130
|
|
chemicalCompound:mwFreebase |
267.369
|
|
chemicalCompound:alogp |
3.613
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
30.33
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.318
|
|
chemicalCompound:acdLogD |
1.356
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.83
|
|
chemicalCompound:acdMostBpk... |
10.124
|
|
chemicalCompound:chemblId |
CHEMBL1612246
|
|
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 |
activity:3607440,
activity:3658040,
activity:3698445,
activity:3768704,
activity:3773567,
activity:3774802,
activity:3777910,
activity:3778910,
activity:3894599,
activity:3904007,
activity:3916573,
activity:3919715,
activity:3942349,
activity:3951349,
activity:4057225,
activity:4078779,
activity:4106389,
activity:4291465,
activity:4463803,
activity:4544929,
activity:4586737,
activity:4667429,
activity:4674452,
activity:4703170,
activity:4717862,
activity:4723501,
activity:4749363,
activity:4783665,
activity:4865124,
activity:4872666,
activity:4872883,
activity:4880997,
activity:4896419,
activity:4901608,
activity:4902088,
activity:4976506,
activity:4977884,
activity:4980664,
activity:5019607,
activity:5022721,
activity:5046912,
activity:5069010,
activity:6469784,
activity:6558760,
activity:6739209,
activity:7005190,
activity:7011365,
activity:7022473,
activity:7047060,
activity:7059228
|
