General Information of the Compound
| Compound ID |
CP0451858
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| Compound Name |
2-[3-(benzenesulfonyl)-7-methoxyindol-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C19H22N2O3S
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| Molecular Weight |
358.463
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| Canonical SMILES |
COc1cccc2c(cn(CCN(C)C)c12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O3S/c1-20(2)12-13-21-14-18(16-10-7-11-17(24-3)19(16)21)25(22,23)15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3
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| InChIKey |
DRARBNUNJCIZLZ-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