General Information of the Compound
| Compound ID |
CP0157382
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| Compound Name |
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H31ClN2O2
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| Molecular Weight |
426.988
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| Canonical SMILES |
CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C25H31ClN2O2/c1-18(2)25(30)27-23-6-3-5-21(17-23)19-12-15-28(16-13-19)14-4-7-24(29)20-8-10-22(26)11-9-20/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,27,30)
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| InChIKey |
XZHJITMMAUAOIV-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