General Information of the Compound
| Compound ID |
CP0412733
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| Compound Name |
(2S)-2-amino-3-(3-methoxycarbonylphenyl)propanoic acid
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| Structure |
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| Formula |
C11H13NO4
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| Molecular Weight |
223.228
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| Canonical SMILES |
COC(=O)c1cccc(C[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-3-7(5-8)6-9(12)10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1
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| InChIKey |
DCMBHDKEVFGGFS-VIFPVBQESA-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