General Information of the Compound
| Compound ID |
CP0505620
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| Compound Name |
2-(1-(isopropylsulfonyl)-1H-indol-3-yl)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C15H22N2O2S
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| Molecular Weight |
294.42
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| Canonical SMILES |
CC(C)S(=O)(=O)n1cc(CCN(C)C)c2ccccc12
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| InChI |
InChI=1S/C15H22N2O2S/c1-12(2)20(18,19)17-11-13(9-10-16(3)4)14-7-5-6-8-15(14)17/h5-8,11-12H,9-10H2,1-4H3
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| InChIKey |
USRXVCUGGCZZCO-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