General Information of the Compound
| Compound ID |
CP0462254
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| Compound Name |
(3S)-3-[[1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C22H22F6N2O6
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| Molecular Weight |
524.414
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C22H22F6N2O6/c23-12-5-13(24)18(26)19(17(12)25)36-9-15(31)14(6-16(32)33)29-20(34)10-1-3-30(4-2-10)21(35)11-7-22(27,28)8-11/h5,10-11,14H,1-4,6-9H2,(H,29,34)(H,32,33)/t14-/m0/s1
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| InChIKey |
KHGIVIVAYQVURG-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