General Information of the Compound
| Compound ID |
CP0452678
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| Compound Name |
(3R,4S)-1-methyl-4-[(E)-4-(2-phenylphenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H27NO2
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| Molecular Weight |
349.474
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| Canonical SMILES |
CN1CC[C@H](CC\C=C\c2ccccc2-c2ccccc2)[C@H](C1)C(O)=O
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| InChI |
InChI=1S/C23H27NO2/c1-24-16-15-20(22(17-24)23(25)26)13-6-5-11-19-12-7-8-14-21(19)18-9-3-2-4-10-18/h2-5,7-12,14,20,22H,6,13,15-17H2,1H3,(H,25,26)/b11-5+/t20-,22-/m0/s1
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| InChIKey |
AHHUPHAYFSGCFA-ZVGVLSLVSA-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