General Information of the Compound
| Compound ID |
CP0395858
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| Compound Name |
3-[2-amino-5-(2-amino-2-carboxyethyl)-3-chlorophenyl]benzoic acid
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| Structure |
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| Formula |
C16H15ClN2O4
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| Molecular Weight |
334.759
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| Canonical SMILES |
NC(Cc1cc(Cl)c(N)c(c1)-c1cccc(c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H15ClN2O4/c17-12-5-8(6-13(18)16(22)23)4-11(14(12)19)9-2-1-3-10(7-9)15(20)21/h1-5,7,13H,6,18-19H2,(H,20,21)(H,22,23)
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| InChIKey |
JSHTULRQRNITRF-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