General Information of the Compound
| Compound ID |
CP0513973
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| Compound Name |
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C22H33ClN2O2
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| Molecular Weight |
392.971
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| Canonical SMILES |
CC(C)CCC(=O)N[C@H](C(C)C)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H33ClN2O2/c1-15(2)5-10-20(26)24-21(16(3)4)22(27)25-13-11-18(12-14-25)17-6-8-19(23)9-7-17/h6-9,15-16,18,21H,5,10-14H2,1-4H3,(H,24,26)/t21-/m1/s1
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| InChIKey |
VEFOJMOTRHRECP-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