General Information of the Compound
| Compound ID |
CP0459234
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| Compound Name |
(3S)-3-[[1-(naphthalene-1-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 |
C28H24F4N2O6
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| Molecular Weight |
560.5
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccc2ccccc12)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C28H24F4N2O6/c29-19-12-20(30)25(32)26(24(19)31)40-14-22(35)21(13-23(36)37)33-27(38)16-8-10-34(11-9-16)28(39)18-7-3-5-15-4-1-2-6-17(15)18/h1-7,12,16,21H,8-11,13-14H2,(H,33,38)(H,36,37)/t21-/m0/s1
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| InChIKey |
YKITXQHXZFSKMG-NRFANRHFSA-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