General Information of the Compound
| Compound ID |
CP0526440
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| Compound Name |
(3S)-3-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C22H26F4N2O6
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| Molecular Weight |
490.45
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C22H26F4N2O6/c1-22(2,3)21(33)28-6-4-11(5-7-28)20(32)27-14(9-16(30)31)15(29)10-34-19-17(25)12(23)8-13(24)18(19)26/h8,11,14H,4-7,9-10H2,1-3H3,(H,27,32)(H,30,31)/t14-/m0/s1
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| InChIKey |
ZDRPKDILZLOHNG-AWEZNQCLSA-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