|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
|
|
chemicalCompound:standardIn... |
CPXHNWKHOFNPDO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1N=C(C)N=C2C(=O)N(C)C(=O)N=C12
|
|
chemicalCompound:molecularF... |
C8H9N5O2
|
|
chemicalCompound:moleculeId |
587394
|
|
chemicalCompound:mwFreebase |
207.189
|
|
chemicalCompound:alogp |
-1.08
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
77.7
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.479
|
|
chemicalCompound:acdLogD |
-0.479
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
207.189
|
|
chemicalCompound:chemblId |
CHEMBL601757
|
|
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:3024010,
activity:3031703,
activity:3033718,
activity:3034662,
activity:3610941,
activity:3631064,
activity:3650573,
activity:3657682,
activity:3659069,
activity:3675599,
activity:3700205,
activity:3735927,
activity:3767313,
activity:3775835,
activity:3798356,
activity:3798575,
activity:3827738,
activity:3853815,
activity:3867776,
activity:3942454,
activity:3951461,
activity:3955307,
activity:3977701,
activity:3995427,
activity:4007577,
activity:4026960,
activity:4099292,
activity:4127615,
activity:4218709,
activity:4277669,
activity:4278297,
activity:4302697,
activity:4316804,
activity:4350669,
activity:4388861,
activity:4420640,
activity:4423854,
activity:4513112,
activity:4541039,
activity:4549902,
activity:4587403,
activity:4588107,
activity:4589994,
activity:4622928,
activity:4659274,
activity:4674670,
activity:4682401,
activity:4690472,
activity:4701744,
activity:4708524,
activity:4715510,
activity:4767435,
activity:4794672,
activity:4843602,
activity:4854151,
activity:4882443,
activity:4896505,
activity:4903162,
activity:4920924,
activity:4925799,
activity:4933709,
activity:4966000,
activity:4990324,
activity:4992800,
activity:5002608,
activity:5008816,
activity:5019222
|
