General Information of the Compound
| Compound ID |
CP0454202
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| Compound Name |
N-(2-adamantyl)-3-cyano-5-fluorobenzamide
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| Structure |
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| Formula |
C18H19FN2O
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| Molecular Weight |
298.361
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| Canonical SMILES |
Fc1cc(cc(c1)C(=O)NC1C2CC3CC(C2)CC1C3)C#N
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| InChI |
InChI=1S/C18H19FN2O/c19-16-7-12(9-20)6-15(8-16)18(22)21-17-13-2-10-1-11(4-13)5-14(17)3-10/h6-8,10-11,13-14,17H,1-5H2,(H,21,22)
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| InChIKey |
PQUXLDKSPBFZTM-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