General Information of the Compound
| Compound ID |
CP0522090
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| Compound Name |
N-(3-tert-butylphenyl)-3-cyano-5-fluorobenzamide
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| Structure |
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| Formula |
C18H17FN2O
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| Molecular Weight |
296.345
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| Canonical SMILES |
CC(C)(C)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
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| InChI |
InChI=1S/C18H17FN2O/c1-18(2,3)14-5-4-6-16(10-14)21-17(22)13-7-12(11-20)8-15(19)9-13/h4-10H,1-3H3,(H,21,22)
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| InChIKey |
PVVDTFDEBDJDJV-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