General Information of the Compound
| Compound ID |
CP0289599
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| Compound Name |
(1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-phenyl-cyclopropanecarboxylic acid
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| Synonyms |
(2S,1'S,2'S,3 R)-2-(2'-carboxy-3'-phenylcyclopropyl)glycine
PCCG-4
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| Structure |
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| Formula |
C12H13NO4
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| Molecular Weight |
235.239
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| Canonical SMILES |
N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1
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| InChIKey |
IFLWVSHRWAIVQF-KATARQTJSA-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
Clinical Information about the Compound