General Information of the Compound
| Compound ID |
CP0580019
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| Compound Name |
N-benzyl-N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C29H31NO5S
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| Molecular Weight |
505.636
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| Canonical SMILES |
CCc1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C29H31NO5S/c1-2-21-8-10-24(11-9-21)30(20-22-6-4-3-5-7-22)36(32,33)25-12-13-28-26(18-25)27(31)19-29(35-28)23-14-16-34-17-15-23/h3-13,18,23,29H,2,14-17,19-20H2,1H3
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| InChIKey |
WZDNEXXHTHGWJK-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