|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)
|
|
chemicalCompound:standardIn... |
CTCKXCOHXZAARD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1nonc1c2nc3cnccc3n2C4CC4
|
|
chemicalCompound:molecularF... |
C11H10N6O
|
|
chemicalCompound:moleculeId |
314914
|
|
chemicalCompound:mwFreebase |
242.237
|
|
chemicalCompound:alogp |
0.84
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
95.65
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.928
|
|
chemicalCompound:acdLogD |
2.927
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
242.237
|
|
chemicalCompound:acdMostBpk... |
4.962
|
|
chemicalCompound:chemblId |
CHEMBL185962
|
|
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:1475807,
activity:1476239,
activity:1476240,
activity:1476241,
activity:7522255,
activity:8208899,
activity:8208900,
activity:8208901,
activity:8208902,
activity:8208903,
activity:8208904,
activity:8208905,
activity:8208906,
activity:8208907,
activity:8208908,
activity:8208909,
activity:8208910,
activity:8208911,
activity:8208912,
activity:8208913,
activity:8208914,
activity:8208915,
activity:8208916,
activity:8208917,
activity:8208918,
activity:8208919,
activity:8208920,
activity:8208921,
activity:8208922,
activity:8208923,
activity:8208924,
activity:8208925,
activity:8208926,
activity:8208927,
activity:8208928,
activity:8208929,
activity:8208930,
activity:8208931,
activity:8208932,
activity:8208933,
activity:8208934,
activity:8208935,
activity:8208936,
activity:8208937,
activity:8208938,
activity:8208939,
activity:8208940,
activity:8208941,
activity:8208942,
activity:8208943,
activity:8208944,
activity:8208945,
activity:8208946,
activity:8208947,
activity:8208948,
activity:8208949,
activity:8208950,
activity:8208951,
activity:8208952,
activity:8208953,
activity:8208954,
activity:8208955,
activity:8208956,
activity:8208957,
activity:8208958,
activity:8208959,
activity:8208960
|
