General Information of the Compound
| Compound ID |
CP0462750
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| Compound Name |
2-(4-(4-ethylphenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
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| Structure |
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| Formula |
C20H24N2OS
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| Molecular Weight |
340.492
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| Canonical SMILES |
CCc1ccc(cc1)-c1ccncc1C1SCC(=O)N1CC(C)C
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| InChI |
InChI=1S/C20H24N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h5-11,14,20H,4,12-13H2,1-3H3
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| InChIKey |
FIMWQCSECIZRBG-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