General Information of the Compound
| Compound ID |
CP0412399
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| Compound Name |
(3S)-3-[[1-(2-methoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C25H24F4N2O8
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| Molecular Weight |
556.465
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| Canonical SMILES |
COc1ccccc1OC(=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/C25H24F4N2O8/c1-37-18-4-2-3-5-19(18)39-25(36)31-8-6-13(7-9-31)24(35)30-16(11-20(33)34)17(32)12-38-23-21(28)14(26)10-15(27)22(23)29/h2-5,10,13,16H,6-9,11-12H2,1H3,(H,30,35)(H,33,34)/t16-/m0/s1
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| InChIKey |
ONTVHQCNANDOIU-INIZCTEOSA-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