General Information of the Compound
| Compound ID |
CP0893502
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(2-(morpholinomethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C20H25ClN2O2S
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| Molecular Weight |
392.952
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| Canonical SMILES |
O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCOCC1
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| InChI |
InChI=1S/C20H25ClN2O2S/c21-16-4-5-19-18(12-16)15(14-26-19)11-20(24)23-6-2-1-3-17(23)13-22-7-9-25-10-8-22/h4-5,12,14,17H,1-3,6-11,13H2
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| InChIKey |
KTAIPWVZLKIKFB-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