|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H15N3O/c1-15-11-6-4-10(5-7-11)12-13-14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3/b13-12+
|
|
chemicalCompound:standardIn... |
MUGWKDATFDQVFX-OUKQBFOZSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)N=NN2CCCC2
|
|
chemicalCompound:molecularF... |
C11H15N3O
|
|
chemicalCompound:moleculeId |
568954
|
|
chemicalCompound:mwFreebase |
205.256
|
|
chemicalCompound:alogp |
2.658
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
37.19
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.372
|
|
chemicalCompound:acdLogD |
3.372
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
205.256
|
|
chemicalCompound:acdMostBpk... |
2.862
|
|
chemicalCompound:chemblId |
CHEMBL573542
|
|
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:2913461,
activity:2913507,
activity:2913565,
activity:2913623,
activity:2913681,
activity:2913739,
activity:2913797,
activity:2914227,
activity:2914318,
activity:2914376,
activity:2914980,
activity:2915005,
activity:2915030,
activity:8270019,
activity:8289536,
activity:8339509,
activity:8358959,
activity:8373554,
activity:8398157,
activity:8460003,
activity:8479817,
activity:8549004,
activity:8564638,
activity:8645442,
activity:8655335,
activity:8696917,
activity:8741267,
activity:8743812,
activity:8845318,
activity:8876344,
activity:8940148,
activity:9044591,
activity:9048183,
activity:9141146,
activity:9143381,
activity:9156890,
activity:9260982,
activity:9276263,
activity:9329713,
activity:9337280,
activity:9410455,
activity:9482546,
activity:9493697,
activity:9571241,
activity:9666225,
activity:9749653,
activity:9755753,
activity:9861086,
activity:9902504,
activity:9936827,
activity:9965215,
activity:10006970,
activity:10018308,
activity:10054844,
activity:10135121,
activity:10145662,
activity:10218999,
activity:10256860,
activity:10295817,
activity:10324262,
activity:10341995,
activity:10412637,
activity:10453328,
activity:10467378,
activity:10565401,
activity:10641416,
activity:10660465
|
