General Information of the Compound
| Compound ID |
CP0945139
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| Compound Name |
2-(3,4-dichlorophenyl)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C24H28Cl2N2O
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| Molecular Weight |
431.407
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| Canonical SMILES |
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C24H28Cl2N2O/c25-21-11-10-18(15-22(21)26)16-24(29)28-14-6-9-20(19-7-2-1-3-8-19)23(28)17-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,23H,4-6,9,12-14,16-17H2/t20-,23+/m1/s1
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| InChIKey |
ZNTZIKSQFJBYMA-OFNKIYASSA-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