General Information of the Compound
| Compound ID |
CP0493982
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| Compound Name |
benzyl N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C24H29ClN2O3
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| Molecular Weight |
428.96
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| Canonical SMILES |
CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H29ClN2O3/c1-17(2)22(26-24(29)30-16-18-6-4-3-5-7-18)23(28)27-14-12-20(13-15-27)19-8-10-21(25)11-9-19/h3-11,17,20,22H,12-16H2,1-2H3,(H,26,29)
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| InChIKey |
BCFONTUUOIKYSL-UHFFFAOYSA-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