General Information of the Compound
| Compound ID |
CP0564414
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| Compound Name |
4-(3,5-dicyanophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C16H14N4O2S
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| Molecular Weight |
326.381
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| Canonical SMILES |
Cc1cnc(NC(=O)CCCOc2cc(cc(c2)C#N)C#N)s1
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| InChI |
InChI=1S/C16H14N4O2S/c1-11-10-19-16(23-11)20-15(21)3-2-4-22-14-6-12(8-17)5-13(7-14)9-18/h5-7,10H,2-4H2,1H3,(H,19,20,21)
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| InChIKey |
PHBHPSWENIIJLO-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