General Information of the Compound
| Compound ID |
CP0430180
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| Compound Name |
N-[(E)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-oxobut-2-en-2-yl]benzamide
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| Structure |
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
C\C=C(\NC(=O)c1ccccc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H23ClN2O3/c1-2-19(24-20(26)16-6-4-3-5-7-16)21(27)25-14-12-22(28,13-15-25)17-8-10-18(23)11-9-17/h2-11,28H,12-15H2,1H3,(H,24,26)/b19-2+
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| InChIKey |
XJJHHILXHFZEEP-FQJNFEMKSA-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