General Information of the Compound
| Compound ID |
CP0174364
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| Compound Name |
N-[3-[1-[[3-(3,5-dichlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C28H30Cl2N2O2
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| Molecular Weight |
497.466
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| Canonical SMILES |
CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)CC1
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| InChI |
InChI=1S/C28H30Cl2N2O2/c1-19(2)28(33)31-25-7-4-6-22(14-25)21-9-11-32(12-10-21)18-20-5-3-8-26(13-20)34-27-16-23(29)15-24(30)17-27/h3-8,13-17,19,21H,9-12,18H2,1-2H3,(H,31,33)
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| InChIKey |
WDQSMVXIRWFSBZ-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