General Information of the Compound
| Compound ID |
CP0544026
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| Compound Name |
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
CN(C)CCc1cn(c2ccc(cc12)C#N)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H19N3O2S/c1-21(2)11-10-16-14-22(19-9-8-15(13-20)12-18(16)19)25(23,24)17-6-4-3-5-7-17/h3-9,12,14H,10-11H2,1-2H3
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| InChIKey |
GACDVHSHGYKQKO-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