General Information of the Compound
| Compound ID |
CP0464770
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| Compound Name |
N,N-dimethyl-2-(1-pentylsulfonylindol-3-yl)ethanamine
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| Structure |
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| Formula |
C17H26N2O2S
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| Molecular Weight |
322.474
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| Canonical SMILES |
CCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
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| InChI |
InChI=1S/C17H26N2O2S/c1-4-5-8-13-22(20,21)19-14-15(11-12-18(2)3)16-9-6-7-10-17(16)19/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
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| InChIKey |
NFUYADMFKRJRMJ-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