General Information of the Compound
| Compound ID |
CP0379686
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| Compound Name |
(3R)-1-[(Z)-4-(2,6-dimethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H29NO2
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| Molecular Weight |
363.501
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| Canonical SMILES |
Cc1cccc(C)c1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H29NO2/c1-18-9-6-10-19(2)23(18)22(20-11-4-3-5-12-20)14-8-16-25-15-7-13-21(17-25)24(26)27/h3-6,9-12,14,21H,7-8,13,15-17H2,1-2H3,(H,26,27)/b22-14-/t21-/m1/s1
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| InChIKey |
YEIQLAVHTDEMSC-NBOCOGBRSA-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