General Information of the Compound
| Compound ID |
CP0845188
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| Compound Name |
(RS)-2-(3-(2-Amino-2-carboxyethyl)benzyl)benzoic acid
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| Structure |
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| Formula |
C17H17NO4
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| Molecular Weight |
299.326
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| Canonical SMILES |
NC(Cc1cccc(Cc2ccccc2C(=O)O)c1)C(=O)O
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| InChI |
InChI=1S/C17H17NO4/c18-15(17(21)22)10-12-5-3-4-11(8-12)9-13-6-1-2-7-14(13)16(19)20/h1-8,15H,9-10,18H2,(H,19,20)(H,21,22)
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| InChIKey |
IMEKNVBGLIXWCZ-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