General Information of the Compound
| Compound ID |
CP0536428
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| Compound Name |
(3S)-3-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C22H24F4N2O6
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| Molecular Weight |
488.434
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C22H24F4N2O6/c23-13-8-14(24)19(26)20(18(13)25)34-10-16(29)15(9-17(30)31)27-21(32)11-4-6-28(7-5-11)22(33)12-2-1-3-12/h8,11-12,15H,1-7,9-10H2,(H,27,32)(H,30,31)/t15-/m0/s1
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| InChIKey |
LAILWPXCJXIJHN-HNNXBMFYSA-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