General Information of the Compound
| Compound ID |
CP0541011
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| Compound Name |
2-(5-methoxy-1-thiophen-2-ylsulfonylindol-3-yl)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C17H20N2O3S2
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| Molecular Weight |
364.492
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| Canonical SMILES |
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C17H20N2O3S2/c1-18(2)9-8-13-12-19(24(20,21)17-5-4-10-23-17)16-7-6-14(22-3)11-15(13)16/h4-7,10-12H,8-9H2,1-3H3
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| InChIKey |
IPAXTAWQPQEGJN-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