|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
|
|
chemicalCompound:standardIn... |
LKBYYUZEKINDPS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCC1=NN(C)C2=NC(=O)N(C)C(=O)C2=N1
|
|
chemicalCompound:molecularF... |
C10H13N5O2
|
|
chemicalCompound:moleculeId |
749829
|
|
chemicalCompound:mwFreebase |
235.243
|
|
chemicalCompound:alogp |
0.69
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
77.7
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.54
|
|
chemicalCompound:acdLogD |
0.54
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
235.243
|
|
chemicalCompound:chemblId |
CHEMBL1325945
|
|
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:3659715,
activity:3660093,
activity:3675646,
activity:3695274,
activity:3722569,
activity:3749122,
activity:3772613,
activity:3802216,
activity:3844278,
activity:3848235,
activity:3889985,
activity:3942455,
activity:4040631,
activity:4092757,
activity:4128525,
activity:4244661,
activity:4278210,
activity:4278320,
activity:4302841,
activity:4323794,
activity:4389255,
activity:4420653,
activity:4507633,
activity:4587360,
activity:4606773,
activity:4621542,
activity:4682549,
activity:4736921,
activity:4839259,
activity:4844237,
activity:4933023,
activity:4937768,
activity:4939632,
activity:4991234,
activity:5075358,
activity:5331666,
activity:5405256,
activity:5453124,
activity:5513496,
activity:5563921,
activity:5569081,
activity:5614784,
activity:5638316,
activity:5919356,
activity:5973555,
activity:5976637,
activity:5977028,
activity:5981015,
activity:6743061,
activity:6754402,
activity:6842800,
activity:6894040,
activity:6973819,
activity:6999920,
activity:7004133,
activity:7027055,
activity:7160065,
activity:7207973,
activity:7231608,
activity:7276991,
activity:7323971,
activity:7366301,
activity:7517129,
activity:7532255,
activity:7555022,
activity:8287557,
activity:10170454,
activity:10216943
|
