|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3/b15-14+
|
|
chemicalCompound:standardIn... |
LOCPVWIREQIGNQ-CCEZHUSRSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(O)c(N=Nc2ccccc2)n1
|
|
chemicalCompound:molecularF... |
C12H11N3O
|
|
chemicalCompound:moleculeId |
143808
|
|
chemicalCompound:mwFreebase |
213.235
|
|
chemicalCompound:alogp |
3.628
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
57.84
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.071
|
|
chemicalCompound:acdLogD |
0.296
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
213.235
|
|
chemicalCompound:acdMostBpk... |
5.62
|
|
chemicalCompound:chemblId |
CHEMBL88553
|
|
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:357508,
activity:357509,
activity:357510,
activity:357511,
activity:357512,
activity:357513,
activity:357514,
activity:357515,
activity:1116829,
activity:1116830,
activity:1741026,
activity:2160231,
activity:2160245,
activity:2160260,
activity:2160281,
activity:2160296,
activity:2160320,
activity:2160325,
activity:2160355,
activity:2391676,
activity:3490211,
activity:3490212,
activity:3490213,
activity:3490214,
activity:3490215,
activity:3490870,
activity:3635961,
activity:3661401,
activity:3696276,
activity:3778470,
activity:3782689,
activity:3857642,
activity:3878938,
activity:3897309,
activity:3904773,
activity:3932787,
activity:3941346,
activity:3956553,
activity:3974043,
activity:4042053,
activity:4059856,
activity:4069580,
activity:4279359,
activity:4346359,
activity:4403347,
activity:4447934,
activity:4492287,
activity:4536130,
activity:4538973,
activity:4752466,
activity:4970469,
activity:5033309,
activity:5337463,
activity:5345454,
activity:5500716,
activity:5565006,
activity:5566529,
activity:5571883,
activity:5572125,
activity:5744864,
activity:5759492,
activity:5774972,
activity:5778110,
activity:5786978,
activity:5975463,
activity:6457400
|
