General Information of the Compound
| Compound ID |
CP0419616
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| Compound Name |
1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-2-(4-methoxyphenyl)ethanone
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| Structure |
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| Formula |
C20H23NO2S
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| Molecular Weight |
341.476
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCSC2c2ccc(C)c(C)c2)cc1
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| InChI |
InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(10-11-24-20)19(22)13-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3
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| InChIKey |
NVIFXZQHKMXUHA-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