General Information of the Compound
| Compound ID |
CP0511745
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| Compound Name |
(3R)-1-[(E)-4-phenyl-4-(2-phenylphenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H29NO2
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| Molecular Weight |
411.545
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2-c2ccccc2)C1
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| InChI |
InChI=1S/C28H29NO2/c30-28(31)24-15-9-19-29(21-24)20-10-18-26(23-13-5-2-6-14-23)27-17-8-7-16-25(27)22-11-3-1-4-12-22/h1-8,11-14,16-18,24H,9-10,15,19-21H2,(H,30,31)/b26-18+/t24-/m1/s1
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| InChIKey |
JFNVGFNLJVOLOO-PSQINSSGSA-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