General Information of the Compound
| Compound ID |
CP0579635
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| Compound Name |
N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C24H26F3NO5S
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| Molecular Weight |
497.535
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C24H26F3NO5S/c1-2-16-3-5-18(6-4-16)28(15-24(25,26)27)34(30,31)19-7-8-22-20(13-19)21(29)14-23(33-22)17-9-11-32-12-10-17/h3-8,13,17,23H,2,9-12,14-15H2,1H3
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| InChIKey |
JKUDLQYSJOTGQN-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