General Information of the Compound
| Compound ID |
CP0387088
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| Compound Name |
1-[(E)-5-[2-(2,4-dichlorophenyl)phenyl]pent-4-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H25Cl2NO2
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| Molecular Weight |
418.364
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| Canonical SMILES |
OC(=O)C1CCCN(CCC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
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| InChI |
InChI=1S/C23H25Cl2NO2/c24-19-11-12-21(22(25)15-19)20-10-4-3-8-17(20)7-2-1-5-13-26-14-6-9-18(16-26)23(27)28/h2-4,7-8,10-12,15,18H,1,5-6,9,13-14,16H2,(H,27,28)/b7-2+
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| InChIKey |
VLYVVKVWOZWWGI-FARCUNLSSA-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