General Information of the Compound
| Compound ID |
CP0434049
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| Compound Name |
N,N-dimethyl-2-(1-octylsulfonylindol-3-yl)ethanamine
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| Structure |
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| Formula |
C20H32N2O2S
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| Molecular Weight |
364.555
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| Canonical SMILES |
CCCCCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
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| InChI |
InChI=1S/C20H32N2O2S/c1-4-5-6-7-8-11-16-25(23,24)22-17-18(14-15-21(2)3)19-12-9-10-13-20(19)22/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3
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| InChIKey |
JSKUKLAGWSMANW-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