General Information of the Compound
| Compound ID |
CP0740509
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| Compound Name |
Lithium salt of 2-(2,4-dichloro-benzoylamino)-5-(2-methylsulfanyl-ethoxy)-benzoate
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| Structure |
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| Formula |
C17H14Cl2LiNO4S
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| Molecular Weight |
406.216
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| Canonical SMILES |
CSCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1.[Li+]
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| InChI |
InChI=1S/C17H15Cl2NO4S.Li/c1-25-7-6-24-11-3-5-15(13(9-11)17(22)23)20-16(21)12-4-2-10(18)8-14(12)19;/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1
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| InChIKey |
CVVDSUXIJBTSAP-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