General Information of the Compound
| Compound ID |
CP0514315
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| Compound Name |
(S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-(methylthio)thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C16H19ClN2OS2
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| Molecular Weight |
354.928
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| Canonical SMILES |
CSc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)(C)C)s1
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| InChI |
InChI=1S/C16H19ClN2OS2/c1-16(2,3)13(10-5-7-11(17)8-6-10)14(20)19-15-18-9-12(21-4)22-15/h5-9,13H,1-4H3,(H,18,19,20)/t13-/m0/s1
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| InChIKey |
NBZRALXNSKKPSX-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