General Information of the Compound
| Compound ID |
CP0893506
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| Compound Name |
2-((3-chlorophenyl)(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 |
C25H32ClN3O
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| Molecular Weight |
426.004
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| Canonical SMILES |
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H32ClN3O/c1-27(22-12-7-11-21(26)17-22)19-25(30)29-16-8-13-23(20-9-3-2-4-10-20)24(29)18-28-14-5-6-15-28/h2-4,7,9-12,17,23-24H,5-6,8,13-16,18-19H2,1H3/t23-,24+/m1/s1
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| InChIKey |
DRZPPVFBGGBMTR-RPWUZVMVSA-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