General Information of the Compound
| Compound ID |
CP0576571
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| Compound Name |
(2R)-N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C26H33NO5S
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| Molecular Weight |
471.619
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2O[C@H](CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C26H33NO5S/c1-4-19-5-7-21(8-6-19)27(17-18(2)3)33(29,30)22-9-10-25-23(15-22)24(28)16-26(32-25)20-11-13-31-14-12-20/h5-10,15,18,20,26H,4,11-14,16-17H2,1-3H3/t26-/m1/s1
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| InChIKey |
CIBPIVAQARQOML-AREMUKBSSA-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