General Information of the Compound
| Compound ID |
CP0380037
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| Compound Name |
3-[3-(2-amino-2-carboxyethyl)-5-nitrophenyl]benzoic acid
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| Structure |
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| Formula |
C16H14N2O6
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| Molecular Weight |
330.296
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| Canonical SMILES |
NC(Cc1cc(cc(c1)[N+]([O-])=O)-c1cccc(c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H14N2O6/c17-14(16(21)22)6-9-4-12(8-13(5-9)18(23)24)10-2-1-3-11(7-10)15(19)20/h1-5,7-8,14H,6,17H2,(H,19,20)(H,21,22)
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| InChIKey |
SXFXSXBKFUFSCC-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