|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
|
|
chemicalCompound:standardIn... |
DHMQDGOQFOQNFH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCC(=O)O
|
|
chemicalCompound:molecularF... |
C2H5NO2
|
|
chemicalCompound:moleculeId |
44010
|
|
chemicalCompound:mwFreebase |
75.0666
|
|
chemicalCompound:alogp |
-3.645
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
63.32
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.434
|
|
chemicalCompound:acdLogP |
-0.928
|
|
chemicalCompound:acdLogD |
-3.43
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
75.0666
|
|
chemicalCompound:acdMostBpk... |
9.637
|
|
chemicalCompound:chemblId |
CHEMBL773
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
GLYCINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:113750,
activity:162086,
activity:191342,
activity:231671,
activity:231672,
activity:340283,
activity:340284,
activity:353103,
activity:353104,
activity:353105,
activity:353106,
activity:363356,
activity:363357,
activity:363358,
activity:363359,
activity:363360,
activity:363361,
activity:363362,
activity:363363,
activity:363364,
activity:363365,
activity:396209,
activity:396210,
activity:396211,
activity:414162,
activity:414163,
activity:422938,
activity:422939,
activity:819738,
activity:869175,
activity:962391,
activity:1227955,
activity:1722285,
activity:1722364,
activity:1722445,
activity:1722507,
activity:1761257,
activity:1859799,
activity:1922433,
activity:1922437,
activity:1922445,
activity:1922458,
activity:1922460,
activity:1922461,
activity:2710065,
activity:3022047,
activity:3264689,
activity:3503836,
activity:3503837,
activity:3503838,
activity:3503839,
activity:3503840,
activity:3503841,
activity:5165977,
activity:5317082,
activity:5317434,
activity:5318033,
activity:5318385
|
