General Information of the Compound
| Compound ID |
CP0576572
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| Compound Name |
6-[(6-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-yl)-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C26H31NO5S
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| Molecular Weight |
469.603
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| Canonical SMILES |
CCc1ccc2N(CC(C)Cc2c1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C26H31NO5S/c1-3-18-4-6-23-20(13-18)12-17(2)16-27(23)33(29,30)21-5-7-25-22(14-21)24(28)15-26(32-25)19-8-10-31-11-9-19/h4-7,13-14,17,19,26H,3,8-12,15-16H2,1-2H3
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| InChIKey |
WQRLTKGGQYJCAF-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