|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
|
|
chemicalCompound:standardIn... |
CULUWZNBISUWAS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2
|
|
chemicalCompound:molecularF... |
C12H12N4O3
|
|
chemicalCompound:moleculeId |
15890
|
|
chemicalCompound:mwFreebase |
260.249
|
|
chemicalCompound:alogp |
1.002
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
92.74
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.91
|
|
chemicalCompound:acdLogD |
0.91
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
260.249
|
|
chemicalCompound:acdMostBpk... |
0.445
|
|
chemicalCompound:chemblId |
CHEMBL110
|
|
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 |
BENZNIDAZOLE
|
|
chemicalCompound:activity |
activity:209733,
activity:209734,
activity:346342,
activity:346343,
activity:346344,
activity:605332,
activity:777079,
activity:793971,
activity:793972,
activity:793973,
activity:812434,
activity:922651,
activity:939264,
activity:939265,
activity:976321,
activity:976322,
activity:976323,
activity:976324,
activity:976325,
activity:976326,
activity:1074742,
activity:1074743,
activity:1147317,
activity:1147318,
activity:1147319,
activity:1147320,
activity:1204205,
activity:1204206,
activity:1438909,
activity:1438910,
activity:1438911,
activity:1438912,
activity:1438913,
activity:1495958,
activity:1495959,
activity:1495960,
activity:1495961,
activity:1495962,
activity:1703511,
activity:1703522,
activity:1703533,
activity:1703544,
activity:1703555,
activity:1703566,
activity:1703576,
activity:1703587,
activity:1703598,
activity:1719009,
activity:1719019,
activity:1719052,
activity:1719062,
activity:1740630,
activity:1772663,
activity:1797936,
activity:1846466,
activity:1846470,
activity:1846474,
activity:1852827,
activity:1852828,
activity:1865220,
activity:1865237,
activity:1865238
|
