General Information of the Compound
| Compound ID |
CP0474399
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| Compound Name |
(3R)-1-[(E)-4-(2-chlorophenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H24ClNO2
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| Molecular Weight |
369.892
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2Cl)C1
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| InChI |
InChI=1S/C22H24ClNO2/c23-21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-24-14-6-10-18(16-24)22(25)26/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,25,26)/b19-12+/t18-/m1/s1
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| InChIKey |
CMTPDJMYNGZGLH-LSCADSNKSA-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