General Information of the Compound
| Compound ID |
CP0438016
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| Compound Name |
4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C16H19ClN2O2S
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| Molecular Weight |
338.86
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| Canonical SMILES |
CN(C(=O)CCCOc1ccc(Cl)c(C)c1)c1ncc(C)s1
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| InChI |
InChI=1S/C16H19ClN2O2S/c1-11-9-13(6-7-14(11)17)21-8-4-5-15(20)19(3)16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3
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| InChIKey |
JHPQZXQCDSBGSL-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