|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12N4O2/c15-14(16)10-5-3-9(4-6-10)11-12-13-7-1-2-8-13/h3-6H,1-2,7-8H2/b12-11+
|
|
chemicalCompound:standardIn... |
VBIXEELEFIOGQR-VAWYXSNFSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc(cc1)N=NN2CCCC2
|
|
chemicalCompound:molecularF... |
C10H12N4O2
|
|
chemicalCompound:moleculeId |
568953
|
|
chemicalCompound:mwFreebase |
220.228
|
|
chemicalCompound:alogp |
2.569
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
73.78
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.583
|
|
chemicalCompound:acdLogD |
3.583
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
220.228
|
|
chemicalCompound:chemblId |
CHEMBL573864
|
|
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:2913462,
activity:2913508,
activity:2913566,
activity:2913624,
activity:2913682,
activity:2913740,
activity:2913798,
activity:2914228,
activity:2914319,
activity:2914377,
activity:2914981,
activity:2915006,
activity:2915031,
activity:8281815,
activity:8283273,
activity:8313830,
activity:8333387,
activity:8432187,
activity:8441133,
activity:8483080,
activity:8529807,
activity:8550094,
activity:8595158,
activity:8669664,
activity:8689278,
activity:8745165,
activity:8782635,
activity:8819368,
activity:8924689,
activity:8926959,
activity:8960990,
activity:8994454,
activity:9023488,
activity:9062535,
activity:9120411,
activity:9148937,
activity:9211945,
activity:9242172,
activity:9249202,
activity:9313227,
activity:9378418,
activity:9385163,
activity:9457787,
activity:9464484,
activity:9505991,
activity:9633871,
activity:9773106,
activity:9805657,
activity:9853480,
activity:9894829,
activity:9957784,
activity:9990595,
activity:10045381,
activity:10099272,
activity:10120490,
activity:10136152,
activity:10173575,
activity:10211340,
activity:10277405,
activity:10301178,
activity:10334727,
activity:10358273,
activity:10458400,
activity:10474046,
activity:10525791,
activity:10545376,
activity:10622885,
activity:10755079
|
