General Information of the Compound
| Compound ID |
CP0459236
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| Compound Name |
(3S)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C21H22F4N2O6
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| Molecular Weight |
474.407
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C21H22F4N2O6/c22-12-7-13(23)18(25)19(17(12)24)33-9-15(28)14(8-16(29)30)26-20(31)10-3-5-27(6-4-10)21(32)11-1-2-11/h7,10-11,14H,1-6,8-9H2,(H,26,31)(H,29,30)/t14-/m0/s1
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| InChIKey |
FULBBCGNZPIDAZ-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