|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H17N3/c1-18(2)13-10-8-12(9-11-13)16-17-14-6-4-5-7-15(14)19(16)3/h4-11H,1-3H3
|
|
chemicalCompound:standardIn... |
UPHHTAKTKIWBHH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(cc1)c2nc3ccccc3n2C
|
|
chemicalCompound:molecularF... |
C16H17N3
|
|
chemicalCompound:moleculeId |
1000050
|
|
chemicalCompound:mwFreebase |
251.326
|
|
chemicalCompound:alogp |
3.638
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
21.06
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.165
|
|
chemicalCompound:acdLogD |
2.141
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
251.326
|
|
chemicalCompound:acdMostBpk... |
5.851
|
|
chemicalCompound:chemblId |
CHEMBL1576166
|
|
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:3623014,
activity:3685535,
activity:3712484,
activity:3736938,
activity:3775936,
activity:3822773,
activity:3833969,
activity:3875193,
activity:3906002,
activity:3952343,
activity:3954849,
activity:4012390,
activity:4058861,
activity:4071504,
activity:4119114,
activity:4208338,
activity:4281752,
activity:4292227,
activity:4359688,
activity:4430277,
activity:4455412,
activity:4692089,
activity:4757786,
activity:4771799,
activity:4824036,
activity:4833320,
activity:4854691,
activity:4873768,
activity:4957838,
activity:4958448,
activity:5000742,
activity:5028842,
activity:5502803,
activity:5539223,
activity:5591615,
activity:5671180,
activity:5808096,
activity:5907935,
activity:6471691,
activity:6542012,
activity:6808702,
activity:7028245,
activity:7064349,
activity:7155640,
activity:7302145,
activity:7351953,
activity:7352713,
activity:7362590,
activity:7392634,
activity:7439974,
activity:7513093
|
