General Information of the Compound
| Compound ID |
CP0521113
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| Compound Name |
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide
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| Structure |
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| Formula |
C23H25ClF2N2O2
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| Molecular Weight |
434.914
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H25ClF2N2O2/c1-14(2)21(27-22(29)17-5-8-19(25)20(26)13-17)23(30)28-11-9-16(10-12-28)15-3-6-18(24)7-4-15/h3-8,13-14,16,21H,9-12H2,1-2H3,(H,27,29)/t21-/m1/s1
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| InChIKey |
FYCILOJKNOGUQT-OAQYLSRUSA-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