General Information of the Compound
| Compound ID |
CP0526438
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| Compound Name |
(3S)-3-[(1-benzoylpiperidine-4-carbonyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C24H22F4N2O6
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| Molecular Weight |
510.44
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C24H22F4N2O6/c25-15-10-16(26)21(28)22(20(15)27)36-12-18(31)17(11-19(32)33)29-23(34)13-6-8-30(9-7-13)24(35)14-4-2-1-3-5-14/h1-5,10,13,17H,6-9,11-12H2,(H,29,34)(H,32,33)/t17-/m0/s1
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| InChIKey |
SGWZMVNBCSRTDB-KRWDZBQOSA-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