General Information of the Compound
| Compound ID |
CP0454194
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| Compound Name |
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyano-5-fluorobenzamide
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| Structure |
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| Formula |
C15H14FN3OS
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| Molecular Weight |
303.362
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| Canonical SMILES |
CC(C)(C)c1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
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| InChI |
InChI=1S/C15H14FN3OS/c1-15(2,3)12-8-21-14(18-12)19-13(20)10-4-9(7-17)5-11(16)6-10/h4-6,8H,1-3H3,(H,18,19,20)
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| InChIKey |
HQLBVGKSQHXKBY-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