General Information of the Compound
| Compound ID |
CP0552824
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| Compound Name |
N-(4-cyanophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C25H28N2O5S
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| Molecular Weight |
468.575
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C25H28N2O5S/c1-17(2)16-27(20-5-3-18(15-26)4-6-20)33(29,30)21-7-8-24-22(13-21)23(28)14-25(32-24)19-9-11-31-12-10-19/h3-8,13,17,19,25H,9-12,14,16H2,1-2H3
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| InChIKey |
LCVFHNSXCIFNME-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