General Information of the Compound
| Compound ID |
CP0539215
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| Compound Name |
(2S)-2-amino-3-(3-methoxycarbonyl-5-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C12H15NO4
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| Molecular Weight |
237.255
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| Canonical SMILES |
COC(=O)c1cc(C)cc(C[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C12H15NO4/c1-7-3-8(6-10(13)11(14)15)5-9(4-7)12(16)17-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)/t10-/m0/s1
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| InChIKey |
NFNNFFRHXLDFNV-JTQLQIEISA-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