General Information of the Compound
| Compound ID |
CP0562565
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| Compound Name |
N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine
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| Structure |
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| Formula |
C13H18N2O2S
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| Molecular Weight |
266.366
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| Canonical SMILES |
CN(C)CCc1cn(c2ccccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C13H18N2O2S/c1-14(2)9-8-11-10-15(18(3,16)17)13-7-5-4-6-12(11)13/h4-7,10H,8-9H2,1-3H3
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| InChIKey |
VXKXFPCXSPRMGE-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