General Information of the Compound
| Compound ID |
CP0511850
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| Compound Name |
(2E,6E)-2,6-bis[(3-fluorophenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C20H16F2O
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| Molecular Weight |
310.343
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| Canonical SMILES |
Fc1cccc(\C=C2/CCC\C(=C/c3cccc(F)c3)C2=O)c1
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| InChI |
InChI=1S/C20H16F2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2/b16-10+,17-11+
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| InChIKey |
RANXKIYLTVWOIP-OTYYAQKOSA-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