General Information of the Compound
| Compound ID |
CP0462249
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| Compound Name |
(3S)-3-[[1-(2-tert-butylphenoxy)carbonylpiperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C28H30F4N2O7
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| Molecular Weight |
582.547
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| Canonical SMILES |
CC(C)(C)c1ccccc1OC(=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/C28H30F4N2O7/c1-28(2,3)16-6-4-5-7-21(16)41-27(39)34-10-8-15(9-11-34)26(38)33-19(13-22(36)37)20(35)14-40-25-23(31)17(29)12-18(30)24(25)32/h4-7,12,15,19H,8-11,13-14H2,1-3H3,(H,33,38)(H,36,37)/t19-/m0/s1
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| InChIKey |
CJGYCEPXRSVKOI-IBGZPJMESA-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