|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H16N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,19)
|
|
chemicalCompound:standardIn... |
JRYCXZUZWFHQPB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1nonc1c2nc3cnccc3n2C4CCCCC4
|
|
chemicalCompound:molecularF... |
C14H16N6O
|
|
chemicalCompound:moleculeId |
314571
|
|
chemicalCompound:mwFreebase |
284.316
|
|
chemicalCompound:alogp |
2.209
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
95.65
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.982
|
|
chemicalCompound:acdLogD |
1.981
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.316
|
|
chemicalCompound:acdMostBpk... |
4.895
|
|
chemicalCompound:chemblId |
CHEMBL189231
|
|
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:1475808,
activity:1476236,
activity:1476237,
activity:1476238,
activity:8082082,
activity:8082083,
activity:8082084,
activity:8082085,
activity:8082086,
activity:8082087,
activity:8082088,
activity:8082089,
activity:8082090,
activity:8082091,
activity:8082092,
activity:8082093,
activity:8082094,
activity:8082095,
activity:8082096,
activity:8082097,
activity:8082098,
activity:8082099,
activity:8082100,
activity:8082101,
activity:8082102,
activity:8082103,
activity:8082104,
activity:8082105,
activity:8082106,
activity:8082107,
activity:8082108,
activity:8082109,
activity:8082110,
activity:8082111,
activity:8082112,
activity:8082113,
activity:8082114,
activity:8082115,
activity:8082116,
activity:8082117,
activity:8082118,
activity:8082119,
activity:8082120,
activity:8082121,
activity:8082122,
activity:8082123,
activity:8082124,
activity:8082125,
activity:8082126,
activity:8082127,
activity:8082128,
activity:8082129,
activity:8082130,
activity:8082131,
activity:8082132,
activity:8082133,
activity:8082134,
activity:8082135,
activity:8082136,
activity:8082137,
activity:8082138,
activity:8082139,
activity:8082140,
activity:8082141,
activity:8082142,
activity:8082143,
activity:8082144
|
