General Information of the Compound
| Compound ID |
CP0553072
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| Compound Name |
N,N-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
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| Synonyms |
CHEMBL248071
N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H22N2O2S/c1-15-8-10-17(11-9-15)24(22,23)21-14-16(12-13-20(2)3)18-6-4-5-7-19(18)21/h4-11,14H,12-13H2,1-3H3
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| InChIKey |
RJGTUGOGNODPPC-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
Clinical Information about the Compound