General Information of the Compound
| Compound ID |
CP0372399
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| Compound Name |
3-(4-chlorobenzyl)-5-(3-methoxy-4-(pyridin-4-ylmethoxy)benzylidene)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C24H19ClN2O4S
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| Molecular Weight |
466.946
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| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccncc1
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| InChI |
InChI=1S/C24H19ClN2O4S/c1-30-21-12-18(4-7-20(21)31-15-17-8-10-26-11-9-17)13-22-23(28)27(24(29)32-22)14-16-2-5-19(25)6-3-16/h2-13H,14-15H2,1H3/b22-13-
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| InChIKey |
QWQYVXLSHHELCG-XKZIYDEJSA-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