General Information of the Compound
| Compound ID |
CP0519829
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| Compound Name |
3-cyano-5-fluoro-N-(isoxazol-3-yl)benzamide
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| Structure |
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| Formula |
C11H6FN3O2
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| Molecular Weight |
231.186
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| Canonical SMILES |
Fc1cc(cc(c1)C(=O)Nc1ccon1)C#N
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| InChI |
InChI=1S/C11H6FN3O2/c12-9-4-7(6-13)3-8(5-9)11(16)14-10-1-2-17-15-10/h1-5H,(H,14,15,16)
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| InChIKey |
TUUIKGZXRGOCMD-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