General Information of the Compound
| Compound ID |
CP0413812
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| Compound Name |
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbenzamide
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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 |
Cc1ccccc1C(=O)NC(C(=O)N1CCC(CC1)c1ccc(Cl)cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H31ClN2O2/c1-17-7-5-6-8-21(17)23(29)27-22(25(2,3)4)24(30)28-15-13-19(14-16-28)18-9-11-20(26)12-10-18/h5-12,19,22H,13-16H2,1-4H3,(H,27,29)
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| InChIKey |
JDINXGAGMZNXJB-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