General Information of the Compound
| Compound ID |
CP0411317
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| Compound Name |
(3S)-3-[(1-hexanoylpiperidine-4-carbonyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C23H28F4N2O6
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| Molecular Weight |
504.477
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| Canonical SMILES |
CCCCCC(=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/C23H28F4N2O6/c1-2-3-4-5-18(31)29-8-6-13(7-9-29)23(34)28-16(11-19(32)33)17(30)12-35-22-20(26)14(24)10-15(25)21(22)27/h10,13,16H,2-9,11-12H2,1H3,(H,28,34)(H,32,33)/t16-/m0/s1
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| InChIKey |
NGIJTKTVRYXHDX-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