General Information of the Compound
| Compound ID |
CP0457929
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| Compound Name |
2-(4-chlorophenyl)-5-ethyl-4-(3-pyrrolidin-1-ylpropoxy)-1,3-thiazole
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| Structure |
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| Formula |
C18H23ClN2OS
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| Molecular Weight |
350.915
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| Canonical SMILES |
CCc1sc(nc1OCCCN1CCCC1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H23ClN2OS/c1-2-16-17(22-13-5-12-21-10-3-4-11-21)20-18(23-16)14-6-8-15(19)9-7-14/h6-9H,2-5,10-13H2,1H3
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| InChIKey |
DOTCTZFHZDIINY-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