General Information of the Compound
| Compound ID |
CP0067543
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| Compound Name |
(S)-4-(amino(carboxy)methyl)benzoic acid
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| Synonyms |
(S)-4-carboxyphenylglycine
(S)-4CPG
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| Structure |
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| Formula |
C9H9NO4
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| Molecular Weight |
195.174
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| Canonical SMILES |
N[C@H](C(O)=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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| InChIKey |
VTMJKPGFERYGJF-ZETCQYMHSA-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