General Information of the Compound
| Compound ID |
CP0551496
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| Compound Name |
N-(4-ethylphenyl)-2-(oxan-4-yl)-N-(oxetan-3-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C25H29NO6S
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| Molecular Weight |
471.575
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| Canonical SMILES |
CCc1ccc(cc1)N(C1COC1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C25H29NO6S/c1-2-17-3-5-19(6-4-17)26(20-15-31-16-20)33(28,29)21-7-8-24-22(13-21)23(27)14-25(32-24)18-9-11-30-12-10-18/h3-8,13,18,20,25H,2,9-12,14-16H2,1H3
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| InChIKey |
GZEILHMHNCEFSW-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