General Information of the Compound
| Compound ID |
CP0495070
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| Compound Name |
1-[4-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-o-tolyl-ethanone
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| Structure |
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| Formula |
C26H32Cl2N2O
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| Molecular Weight |
459.461
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| Canonical SMILES |
Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3
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| InChIKey |
GDVQQVKRPIBZGQ-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