|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
|
|
chemicalCompound:standardIn... |
BIXBBIPTYBJTRY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N=C1NC(=O)N2CC12
|
|
chemicalCompound:molecularF... |
C4 H5 N3 O
|
|
chemicalCompound:moleculeId |
246628
|
|
chemicalCompound:mwFreebase |
111.102
|
|
chemicalCompound:alogp |
-0.946
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
55.96
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.746
|
|
chemicalCompound:acdLogP |
-1.172
|
|
chemicalCompound:acdLogD |
-1.174
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
111.102
|
|
chemicalCompound:acdMostBpk... |
7.282
|
|
chemicalCompound:chemblId |
CHEMBL146428
|
|
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:prefName |
IMEXON
|
|
chemicalCompound:activity |
activity:995046,
activity:995047,
activity:995048,
activity:995049,
activity:995050,
activity:995051,
activity:995052,
activity:995053,
activity:995054,
activity:995055,
activity:995056,
activity:995057,
activity:995058,
activity:995059,
activity:995060,
activity:995061,
activity:995062,
activity:995063,
activity:995064,
activity:995065,
activity:995066,
activity:995067,
activity:995068,
activity:995069,
activity:995070,
activity:995071,
activity:995072,
activity:995073,
activity:995074,
activity:995075,
activity:995076,
activity:995077,
activity:995078,
activity:995079,
activity:995080,
activity:995081,
activity:7116038,
activity:7470258,
activity:7516790,
activity:8249720,
activity:8299251,
activity:8314417,
activity:8404506,
activity:8424662,
activity:8439846,
activity:8519889,
activity:8576236,
activity:8600795,
activity:8657338,
activity:8681822,
activity:8772418,
activity:8775023,
activity:8804855,
activity:8903466,
activity:8928261,
activity:9042726,
activity:9071875,
activity:9095054,
activity:9097262,
activity:9168455,
activity:9188343,
activity:9232423,
activity:9291857,
activity:9336522
|
