General Information of the Compound
| Compound ID |
CP0703991
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| Compound Name |
Lithium salt of 2-(2,4-dichloro-benzoylamino)-5-(2-pyridin-2-yl-ethoxy)-benzoate
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| Structure |
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| Formula |
C21H15Cl2LiN2O4
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| Molecular Weight |
437.208
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| Canonical SMILES |
O=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
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| InChI |
InChI=1S/C21H16Cl2N2O4.Li/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14;/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28);/q;+1/p-1
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| InChIKey |
NKJJWSMQZCOFRU-UHFFFAOYSA-M
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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