General Information of the Compound
| Compound ID |
CP0424597
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| Compound Name |
5-(4-benzoyl-2,6-dihydroxyphenyl)-2-fluorobenzonitrile
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| Formula |
C20H12FNO3
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| Molecular Weight |
333.318
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| Canonical SMILES |
Oc1cc(cc(O)c1-c1ccc(F)c(c1)C#N)C(=O)c1ccccc1
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| InChI |
InChI=1S/C20H12FNO3/c21-16-7-6-13(8-15(16)11-22)19-17(23)9-14(10-18(19)24)20(25)12-4-2-1-3-5-12/h1-10,23-24H
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| InChIKey |
NZLCRGDLEDOHCD-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