General Information of the Compound
| Compound ID |
CP0529894
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| Compound Name |
2-Amino-3-(4-carboxymethyl-phenyl)-propionic 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 |
NC(Cc1ccc(CC(O)=O)cc1)C(O)=O
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| InChI |
InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)
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| InChIKey |
LJHYWUVYIKCPGU-UHFFFAOYSA-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