General Information of the Compound
| Compound ID |
CP0515600
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| Compound Name |
5-[[4-[2-(6-chloroindol-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C20H17ClN2O3S
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| Molecular Weight |
400.887
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| Canonical SMILES |
Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1
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| InChI |
InChI=1S/C20H17ClN2O3S/c21-15-4-3-14-7-8-23(17(14)12-15)9-10-26-16-5-1-13(2-6-16)11-18-19(24)22-20(25)27-18/h1-8,12,18H,9-11H2,(H,22,24,25)
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| InChIKey |
JYYGYBWGUKAOMM-UHFFFAOYSA-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