General Information of the Compound
| Compound ID |
CP0580007
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| Compound Name |
N-(4-ethylphenyl)-2-(4-methyloxan-4-yl)-N-(2-methylpropyl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C27H35NO5S
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| Molecular Weight |
485.646
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1(C)CCOCC1
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| InChI |
InChI=1S/C27H35NO5S/c1-5-20-6-8-21(9-7-20)28(18-19(2)3)34(30,31)22-10-11-25-23(16-22)24(29)17-26(33-25)27(4)12-14-32-15-13-27/h6-11,16,19,26H,5,12-15,17-18H2,1-4H3
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| InChIKey |
CVQCTRJKKYLEEQ-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