General Information of the Compound
| Compound ID |
CP0426588
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| Compound Name |
4-(5-chloropyridin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C13H14ClN3O2S
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| Molecular Weight |
311.794
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| Canonical SMILES |
Cc1cnc(NC(=O)CCCOc2cncc(Cl)c2)s1
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| InChI |
InChI=1S/C13H14ClN3O2S/c1-9-6-16-13(20-9)17-12(18)3-2-4-19-11-5-10(14)7-15-8-11/h5-8H,2-4H2,1H3,(H,16,17,18)
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| InChIKey |
XUPYCHMBUNHQEX-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