General Information of the Compound
| Compound ID |
CP0562141
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| Compound Name |
dimethyl (2S,4E)-4-[[(2,4-dichlorophenyl)methylamino]methylidene]-5-oxopyrrolidine-1,2-dicarboxylate
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| Structure |
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| Formula |
C16H16Cl2N2O5
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| Molecular Weight |
387.219
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| Canonical SMILES |
COC(=O)[C@@H]1C\C(=C/NCc2ccc(Cl)cc2Cl)C(=O)N1C(=O)OC
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| InChI |
InChI=1S/C16H16Cl2N2O5/c1-24-15(22)13-5-10(14(21)20(13)16(23)25-2)8-19-7-9-3-4-11(17)6-12(9)18/h3-4,6,8,13,19H,5,7H2,1-2H3/b10-8+/t13-/m0/s1
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| InChIKey |
OZRWVOAGWOSRQI-FROQITRMSA-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