General Information of the Compound
| Compound ID |
CP0516538
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| Compound Name |
1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H24FNO2
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| Molecular Weight |
353.437
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| Canonical SMILES |
OC(=O)C1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26)
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| InChIKey |
KYVIFZVYZUQCME-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