General Information of the Compound
| Compound ID |
CP0537758
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| Compound Name |
(+/−)-5-({[6-Bromo-2-(3,3-difluoroazetidin-1-yl)-3-methylquinolin-4-yl]carbonyl}amino)-4-(2-chlorophenyl)pentanoic acid (Racemate)
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| Structure |
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| Formula |
C25H23BrClF2N3O3
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| Molecular Weight |
566.83
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| Canonical SMILES |
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1ccccc1Cl)N1CC(F)(F)C1
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| InChI |
InChI=1S/C25H23BrClF2N3O3/c1-14-22(18-10-16(26)7-8-20(18)31-23(14)32-12-25(28,29)13-32)24(35)30-11-15(6-9-21(33)34)17-4-2-3-5-19(17)27/h2-5,7-8,10,15H,6,9,11-13H2,1H3,(H,30,35)(H,33,34)
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| InChIKey |
JNIAUCQZXXOWLB-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