|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
|
|
chemicalCompound:standardIn... |
BTCSSZJGUNDROE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCCC(=O)O
|
|
chemicalCompound:molecularF... |
C4H9NO2
|
|
chemicalCompound:moleculeId |
10909
|
|
chemicalCompound:mwFreebase |
103.12
|
|
chemicalCompound:alogp |
-3.076
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
63.32
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.438
|
|
chemicalCompound:acdLogP |
-0.637
|
|
chemicalCompound:acdLogD |
-3.138
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
103.12
|
|
chemicalCompound:acdMostBpk... |
11.247
|
|
chemicalCompound:chemblId |
CHEMBL96
|
|
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 |
GAMMA-AMINO-BUTANOIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:72488,
activity:72489,
activity:72490,
activity:72491,
activity:114640,
activity:167283,
activity:167284,
activity:167285,
activity:195328,
activity:195329,
activity:195330,
activity:210454,
activity:214066,
activity:214067,
activity:214068,
activity:214069,
activity:338898,
activity:392762,
activity:405563,
activity:405564,
activity:411504,
activity:418525,
activity:421620,
activity:421621,
activity:421622,
activity:421623,
activity:483393,
activity:483394,
activity:528835,
activity:528836,
activity:528837,
activity:528838,
activity:528839,
activity:528840,
activity:528841,
activity:528842,
activity:528843,
activity:528844,
activity:528845,
activity:528846,
activity:528847,
activity:528848,
activity:528849,
activity:528850,
activity:528851,
activity:528852,
activity:528853,
activity:528854,
activity:528855,
activity:528856,
activity:528857,
activity:528858,
activity:528859,
activity:570147,
activity:570148,
activity:570149,
activity:570150,
activity:571573,
activity:571574,
activity:576355,
activity:576356,
activity:576357,
activity:613499
|
