|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
|
|
chemicalCompound:standardIn... |
HFACYLZERDEVSX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(cc1)c2ccc(N)cc2
|
|
chemicalCompound:molecularF... |
C12H12N2
|
|
chemicalCompound:moleculeId |
16576
|
|
chemicalCompound:mwFreebase |
184.237
|
|
chemicalCompound:alogp |
1.855
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
52.04
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.682
|
|
chemicalCompound:acdLogD |
1.681
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
184.237
|
|
chemicalCompound:acdMostBpk... |
4.697
|
|
chemicalCompound:chemblId |
CHEMBL15901
|
|
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 |
BENZIDINE
|
|
chemicalCompound:activity |
activity:226376,
activity:226377,
activity:226378,
activity:226379,
activity:226380,
activity:226381,
activity:272268,
activity:272269,
activity:272270,
activity:287194,
activity:1066064,
activity:2055374,
activity:2055472,
activity:2385479,
activity:3928935,
activity:4152288,
activity:4838825,
activity:4965627,
activity:5034760,
activity:6958531,
activity:7565312,
activity:7565313,
activity:7565314
|
