General Information of the Compound
| Compound ID |
CP0410872
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| Compound Name |
3-[5-(2-amino-2-carboxyethyl)-2-chloro-3-nitrophenyl]benzoic acid
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| Structure |
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| Formula |
C16H13ClN2O6
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| Molecular Weight |
364.741
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| Canonical SMILES |
NC(Cc1cc(-c2cccc(c2)C(O)=O)c(Cl)c(c1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C16H13ClN2O6/c17-14-11(9-2-1-3-10(7-9)15(20)21)4-8(5-12(18)16(22)23)6-13(14)19(24)25/h1-4,6-7,12H,5,18H2,(H,20,21)(H,22,23)
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| InChIKey |
SRLDOAOYJVEXQX-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