|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
|
|
chemicalCompound:standardIn... |
RRUDCFGSUDOHDG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)NO
|
|
chemicalCompound:molecularF... |
C2H5NO2
|
|
chemicalCompound:moleculeId |
37820
|
|
chemicalCompound:mwFreebase |
75.0666
|
|
chemicalCompound:alogp |
-0.82
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.33
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.264
|
|
chemicalCompound:acdLogP |
-0.23
|
|
chemicalCompound:acdLogD |
-0.236
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
75.0666
|
|
chemicalCompound:chemblId |
CHEMBL734
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ACETOHYDROXAMIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1983
|
|
chemicalCompound:activity |
activity:94724,
activity:94725,
activity:132044,
activity:132045,
activity:132046,
activity:132047,
activity:132048,
activity:194671,
activity:563198,
activity:563199,
activity:857688,
activity:945780,
activity:1755217,
activity:1755219,
activity:1755221,
activity:1755223,
activity:1944250,
activity:1944960,
activity:1944965,
activity:2035320,
activity:2037179,
activity:2306334,
activity:2306358,
activity:2379886,
activity:2544565,
activity:3021964,
activity:3021988,
activity:3021990,
activity:3021992,
activity:3069499,
activity:3069513,
activity:3225497,
activity:3390262,
activity:3405344,
activity:3552114,
activity:3552144,
activity:3710294,
activity:5186754,
activity:5186755,
activity:5193058,
activity:5193455,
activity:5193497,
activity:5193613,
activity:5193649,
activity:5193774,
activity:5193780,
activity:5194242,
activity:5194450,
activity:5317052,
activity:5318003,
activity:5318954,
activity:5324979,
activity:5324980,
activity:5324981,
activity:5324982,
activity:5324983,
activity:5324984,
activity:5324985,
activity:5324986
|
