General Information of the Compound
| Compound ID |
CP0877383
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| Compound Name |
2-((3,4-dichlorophenyl)(ethyl)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 |
CCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H33Cl2N3O/c1-2-30(21-12-13-23(27)24(28)17-21)19-26(32)31-16-8-11-22(20-9-4-3-5-10-20)25(31)18-29-14-6-7-15-29/h3-5,9-10,12-13,17,22,25H,2,6-8,11,14-16,18-19H2,1H3/t22-,25+/m1/s1
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| InChIKey |
RYEZCLNRKZZJGG-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