General Information of the Compound
| Compound ID |
CP0552823
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| Compound Name |
2-(1-cyclopentylsulfonylpiperidin-4-yl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C31H42N2O6S2
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| Molecular Weight |
602.819
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCN(CC1)S(=O)(=O)C1CCCC1
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| InChI |
InChI=1S/C31H42N2O6S2/c1-4-23-9-11-25(12-10-23)33(21-22(2)3)41(37,38)27-13-14-30-28(19-27)29(34)20-31(39-30)24-15-17-32(18-16-24)40(35,36)26-7-5-6-8-26/h9-14,19,22,24,26,31H,4-8,15-18,20-21H2,1-3H3
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| InChIKey |
GQZPDAKMHIKJRD-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