General Information of the Compound
| Compound ID |
CP0427463
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| Compound Name |
(3R)-1-[(Z)-4-(2-chlorophenyl)-4-(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23ClFNO2
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| Molecular Weight |
387.882
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2Cl)C1
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| InChI |
InChI=1S/C22H23ClFNO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/b17-10+/t16-/m1/s1
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| InChIKey |
LNMJTWIPIOLGNT-FCNRDGCESA-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