General Information of the Compound
| Compound ID |
CP0718397
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| Compound Name |
Lithium salt of 2-(2,4-dichloro-benzoylamino)-5-(2-thiophen-3-yl-ethoxy)-benzoate
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| Structure |
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| Formula |
C20H14Cl2LiNO4S
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| Molecular Weight |
442.249
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| Canonical SMILES |
O=C(Nc1ccc(OCCc2ccsc2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
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| InChI |
InChI=1S/C20H15Cl2NO4S.Li/c21-13-1-3-15(17(22)9-13)19(24)23-18-4-2-14(10-16(18)20(25)26)27-7-5-12-6-8-28-11-12;/h1-4,6,8-11H,5,7H2,(H,23,24)(H,25,26);/q;+1/p-1
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| InChIKey |
GNCFTXXWFFGTRC-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