General Information of the Compound
| Compound ID |
CP0486890
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| Compound Name |
2-[1-(benzenesulfonyl)indol-3-yl]-N,N-diethylethanamine
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| Structure |
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| Formula |
C20H24N2O2S
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| Molecular Weight |
356.491
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| Canonical SMILES |
CCN(CC)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H24N2O2S/c1-3-21(4-2)15-14-17-16-22(20-13-9-8-12-19(17)20)25(23,24)18-10-6-5-7-11-18/h5-13,16H,3-4,14-15H2,1-2H3
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| InChIKey |
GMDGMGSBGXSQLX-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