General Information of the Compound
| Compound ID |
CP0921799
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(2-((diethylamino)methyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C20H27ClN2OS
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| Molecular Weight |
378.969
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| Canonical SMILES |
CCN(CC)CC1CCCCN1C(=O)Cc1csc2ccc(Cl)cc12
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| InChI |
InChI=1S/C20H27ClN2OS/c1-3-22(4-2)13-17-7-5-6-10-23(17)20(24)11-15-14-25-19-9-8-16(21)12-18(15)19/h8-9,12,14,17H,3-7,10-11,13H2,1-2H3
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| InChIKey |
MKHRIUVNMOCIPH-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