General Information of the Compound
| Compound ID |
CP0457013
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| Compound Name |
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
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| Structure |
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| Formula |
C22H25ClN2O2
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| Molecular Weight |
384.907
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H25ClN2O2/c1-2-20(24-21(26)18-6-4-3-5-7-18)22(27)25-14-12-17(13-15-25)16-8-10-19(23)11-9-16/h3-11,17,20H,2,12-15H2,1H3,(H,24,26)/t20-/m1/s1
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| InChIKey |
PXKZQMZYUXDERS-HXUWFJFHSA-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