|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H30N4.ClH/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;/h11-14,17-18H,1-10,15-16H2;1H
|
|
chemicalCompound:standardIn... |
QQAMYBOFACDMSU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.NC1CCCCC1NCCNC2CCCCC2N
|
|
chemicalCompound:molecularF... |
C14H31ClN4
|
|
chemicalCompound:moleculeId |
1295764
|
|
chemicalCompound:mwFreebase |
254.415
|
|
chemicalCompound:alogp |
0.59
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
76.09
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1
|
|
chemicalCompound:acdLogD |
-3.122
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
290.876
|
|
chemicalCompound:acdMostBpk... |
10.735
|
|
chemicalCompound:chemblId |
CHEMBL1974473
|
|
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:8281797,
activity:8284661,
activity:8331582,
activity:8342200,
activity:8436351,
activity:8449825,
activity:8496100,
activity:8538563,
activity:8572646,
activity:8603625,
activity:8615122,
activity:8682653,
activity:8689019,
activity:8735963,
activity:8795635,
activity:8821453,
activity:8823876,
activity:8931182,
activity:8965075,
activity:8998665,
activity:9017403,
activity:9027815,
activity:9091475,
activity:9124666,
activity:9216186,
activity:9246363,
activity:9253324,
activity:9317423,
activity:9386871,
activity:9389474,
activity:9466330,
activity:9468782,
activity:9534706,
activity:9641992,
activity:9728539,
activity:9748022,
activity:9857594,
activity:9898962,
activity:9961902,
activity:9994719,
activity:9997078,
activity:9998846,
activity:10107701,
activity:10124781,
activity:10166669,
activity:10215538,
activity:10299107,
activity:10309531,
activity:10338765,
activity:10362336,
activity:10415755,
activity:10422178,
activity:10529911,
activity:10549410,
activity:10635474,
activity:10707306,
activity:10732051,
activity:10759176,
activity:10804471
|
