General Information of the Compound
| Compound ID |
CP0439247
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| Compound Name |
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C18H20N2O2S
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| Molecular Weight |
328.437
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| Canonical SMILES |
CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H20N2O2S/c1-19(2)12-13-20-14-18(16-10-6-7-11-17(16)20)23(21,22)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
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| InChIKey |
JRCURRGCAIWUMY-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