General Information of the Compound
| Compound ID |
CP0517600
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| Compound Name |
(S)-2-(4-chlorophenyl)-N-(5-cyanothiazol-2-yl)-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C16H16ClN3OS
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| Molecular Weight |
333.844
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| Canonical SMILES |
CC(C)(C)[C@H](C(=O)Nc1ncc(s1)C#N)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H16ClN3OS/c1-16(2,3)13(10-4-6-11(17)7-5-10)14(21)20-15-19-9-12(8-18)22-15/h4-7,9,13H,1-3H3,(H,19,20,21)/t13-/m0/s1
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| InChIKey |
WBYPMAQXDQLOOS-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