General Information of the Compound
| Compound ID |
CP0545852
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| Compound Name |
(3S)-3-[[1-(1,2-oxazole-3-carbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C21H19F4N3O7
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| Molecular Weight |
501.389
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccon1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C21H19F4N3O7/c22-11-7-12(23)18(25)19(17(11)24)34-9-15(29)14(8-16(30)31)26-20(32)10-1-4-28(5-2-10)21(33)13-3-6-35-27-13/h3,6-7,10,14H,1-2,4-5,8-9H2,(H,26,32)(H,30,31)/t14-/m0/s1
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| InChIKey |
FQXKAYIJELOXSR-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