General Information of the Compound
| Compound ID |
CP0553580
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| Compound Name |
1-[4-[(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C23H28N2O3S
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| Molecular Weight |
412.555
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| Canonical SMILES |
CC(C)(C)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
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| InChI |
InChI=1S/C23H28N2O3S/c1-23(2,3)18-8-13-21-17(16-18)6-4-15-25(21)29(27,28)20-11-9-19(10-12-20)24-14-5-7-22(24)26/h8-13,16H,4-7,14-15H2,1-3H3
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| InChIKey |
OHVBJWIXOWVXMT-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