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Name | CHEMBL315268 |
---|---|
Molecular formula | C8H12N2O4 |
IUPAC name | (2S)-2-amino-4-(5-methyl-3-oxo-1,2-oxazol-4-yl)butanoic acid |
Molecular weight | 200.194 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | -2.9 |
Synonyms | (S)-2-Amino-4-(3-hydroxy-5-methyl-isoxazol-4-yl)-butyric acid 2-Amino-4-(3-hydroxy-5-methyl-isoxazol-4-yl)-butyric acid SCHEMBL12506417 AC1O7GW0 (s)-2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid [ Show all ] |
Inchi Key | NZDIZJGEDFARSV-LURJTMIESA-N |
Inchi ID | InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
PubChem CID | 6604795 |
ChEMBL | CHEMBL315268 |
IUPHAR | N/A |
BindingDB | 50060719 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417