General Information of the Compound
| Compound ID |
CP0445113
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| Compound Name |
(2S)-2-amino-3-[3-(methylcarbamoyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C11H14N2O3
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| Molecular Weight |
222.244
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| Canonical SMILES |
CNC(=O)c1cccc(C[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C11H14N2O3/c1-13-10(14)8-4-2-3-7(5-8)6-9(12)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
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| InChIKey |
MOUPFWHCJUMJAN-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