General Information of the Compound
| Compound ID |
CP0549834
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| Compound Name |
(3R)-1-[(Z)-4-(2-ethylphenyl)-4-(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H28FNO2
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| Molecular Weight |
381.491
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| Canonical SMILES |
CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
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| InChI |
InChI=1S/C24H28FNO2/c1-2-18-9-3-4-11-20(18)21(22-12-5-6-14-23(22)25)13-8-16-26-15-7-10-19(17-26)24(27)28/h3-6,9,11-14,19H,2,7-8,10,15-17H2,1H3,(H,27,28)/b21-13-/t19-/m1/s1
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| InChIKey |
JFXUNHMGUSTRHG-UOIFGXKSSA-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