|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
|
|
chemicalCompound:standardIn... |
HDFGOPSGAURCEO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN1C(=O)C=CC1=O
|
|
chemicalCompound:molecularF... |
C6H7NO2
|
|
chemicalCompound:moleculeId |
3889
|
|
chemicalCompound:mwFreebase |
125.125
|
|
chemicalCompound:alogp |
0.16
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
37.38
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.812
|
|
chemicalCompound:acdLogD |
0.812
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
125.125
|
|
chemicalCompound:chemblId |
CHEMBL8211
|
|
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 |
N-ETHYLMALEIMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:328557,
activity:647058,
activity:647059,
activity:901801,
activity:1922757,
activity:2422400,
activity:2928754,
activity:2928809,
activity:3418383,
activity:3418384,
activity:3492387,
activity:3656544,
activity:3941429,
activity:4188048,
activity:4358713,
activity:4403435,
activity:4529068,
activity:4753997,
activity:4805561,
activity:4886105,
activity:4897383,
activity:5065201,
activity:5070312,
activity:5570032,
activity:5737561,
activity:5775955,
activity:5779089,
activity:5784178,
activity:5855631,
activity:5993789,
activity:6024318,
activity:6044606,
activity:6045370,
activity:6051984,
activity:6186236,
activity:6186267,
activity:6186298,
activity:6186329,
activity:6186371,
activity:6186440,
activity:6187448,
activity:6187517,
activity:6187586,
activity:6187655,
activity:6188620,
activity:6188689,
activity:6188759,
activity:6188829,
activity:6189795,
activity:6189864,
activity:6189933,
activity:6190002,
activity:6190979,
activity:6191048,
activity:6191117,
activity:6191186,
activity:6191889,
activity:6191959,
activity:6779413,
activity:6851423,
activity:7442386,
activity:7515600,
activity:8007334,
activity:8007336
|
