General Information of the Compound
| Compound ID |
CP0001373
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| Compound Name |
2-[(4R,5S)-2-amino-5-methyl-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
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| Structure |
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| Formula |
C6H10N2O2S
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| Molecular Weight |
174.225
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| Canonical SMILES |
C[C@@H]1SC(N)=N[C@@H]1CC(O)=O
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| InChI |
InChI=1S/C6H10N2O2S/c1-3-4(2-5(9)10)8-6(7)11-3/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m0/s1
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| InChIKey |
MQFCGOLHKFXDRZ-IUYQGCFVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03522, Gamma-aminobutyric acid receptor subunit rho-1
Protein ID: PT02527, Sodium- and chloride-dependent betaine transporter
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3