General Information of the Compound
| Compound ID |
CP0549915
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| Compound Name |
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C27H36N2O6S2
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| Molecular Weight |
548.727
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C27H36N2O6S2/c1-5-20-6-8-22(9-7-20)29(18-19(2)3)37(33,34)23-10-11-26-24(16-23)25(30)17-27(35-26)21-12-14-28(15-13-21)36(4,31)32/h6-11,16,19,21,27H,5,12-15,17-18H2,1-4H3
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| InChIKey |
PCIMAPRFESVGNC-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