General Information of the Compound
| Compound ID |
CP0392370
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| Compound Name |
1-[(E)-4,4,4-triphenylbut-2-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)C1CCCN(C\C=C\C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C28H29NO2/c30-27(31)23-12-10-20-29(22-23)21-11-19-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,11,13-19,23H,10,12,20-22H2,(H,30,31)/b19-11+
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| InChIKey |
BAUVLJWTHIJTEM-YBFXNURJSA-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