General Information of the Compound
| Compound ID |
CP0549921
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| Compound Name |
N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C22H25NO5S
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| Molecular Weight |
415.511
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| Canonical SMILES |
CCc1ccc(NS(=O)(=O)c2ccc3OC(CC(=O)c3c2)C2CCOCC2)cc1
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| InChI |
InChI=1S/C22H25NO5S/c1-2-15-3-5-17(6-4-15)23-29(25,26)18-7-8-21-19(13-18)20(24)14-22(28-21)16-9-11-27-12-10-16/h3-8,13,16,22-23H,2,9-12,14H2,1H3
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| InChIKey |
UIKJTYNPJBEQJS-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