General Information of the Compound
| Compound ID |
CP0552936
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| Compound Name |
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide
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| Structure |
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| Formula |
C13H11Cl3N2O2S
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| Molecular Weight |
365.669
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| Canonical SMILES |
Clc1cnc(NC(=O)CCCOc2ccc(Cl)c(Cl)c2)s1
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| InChI |
InChI=1S/C13H11Cl3N2O2S/c14-9-4-3-8(6-10(9)15)20-5-1-2-12(19)18-13-17-7-11(16)21-13/h3-4,6-7H,1-2,5H2,(H,17,18,19)
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| InChIKey |
LPTNDYIJQHJNTF-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