rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3
|
chemicalCompound:standardIn... |
XAKAQCMEMMZUEO-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
CN(N=O)c1ccc(O)c(O)c1
|
chemicalCompound:molecularF... |
C7H8N2O3
|
chemicalCompound:moleculeId |
705613
|
chemicalCompound:mwFreebase |
168.15
|
chemicalCompound:alogp |
1.183
|
chemicalCompound:hba |
4
|
chemicalCompound:hbd |
2
|
chemicalCompound:psa |
73.13
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdMostApk... |
9.125
|
chemicalCompound:acdLogP |
0.505
|
chemicalCompound:acdLogD |
0.484
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
168.15
|
chemicalCompound:chemblId |
CHEMBL1256623
|
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:3658818,
activity:3673020,
activity:3675740,
activity:3685606,
activity:3693362,
activity:3707219,
activity:3782834,
activity:3787852,
activity:3787853,
activity:3797120,
activity:3798812,
activity:3866730,
activity:3897164,
activity:3937967,
activity:3953474,
activity:3988080,
activity:4015925,
activity:4084726,
activity:4129691,
activity:4148393,
activity:4278535,
activity:4388169,
activity:4437026,
activity:4444947,
activity:4518077,
activity:4518727,
activity:4521533,
activity:4565562,
activity:4583832,
activity:4588922,
activity:4612030,
activity:4715391,
activity:4723581,
activity:4735529,
activity:4745920,
activity:4788231,
activity:4799566,
activity:4805450,
activity:4836093,
activity:4837106,
activity:4886734,
activity:4921919,
activity:4966385,
activity:5052234,
activity:5345118,
activity:5523105,
activity:5559546,
activity:5569211,
activity:5570005,
activity:5571911,
activity:5572938,
activity:5573760,
activity:5639330,
activity:5683785,
activity:5705945,
activity:5707293,
activity:5774992,
activity:5778134,
activity:5786982,
activity:5961622,
activity:5982963,
activity:6442636,
activity:6786482,
activity:6823640,
activity:6849598,
activity:6877451,
activity:6917021
|