General Information of the Compound
| Compound ID |
CP0463950
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| Compound Name |
(S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C15H17ClN2OS
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| Molecular Weight |
308.834
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| Canonical SMILES |
CC(C)[C@H](C(=O)N(C)c1nccs1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H17ClN2OS/c1-10(2)13(11-4-6-12(16)7-5-11)14(19)18(3)15-17-8-9-20-15/h4-10,13H,1-3H3/t13-/m0/s1
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| InChIKey |
FHRQEYFDOUTGNL-ZDUSSCGKSA-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