General Information of the Compound
| Compound ID |
CP0913728
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| Compound Name |
2-((3,4-dichlorobenzyl)(methyl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C26H33Cl2N3O
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| Molecular Weight |
474.476
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| Canonical SMILES |
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H33Cl2N3O/c1-29(17-20-11-12-23(27)24(28)16-20)19-26(32)31-15-7-10-22(21-8-3-2-4-9-21)25(31)18-30-13-5-6-14-30/h2-4,8-9,11-12,16,22,25H,5-7,10,13-15,17-19H2,1H3/t22-,25+/m1/s1
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| InChIKey |
CWLMBFMGQDVSMX-RDGATRHJSA-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