General Information of the Compound
| Compound ID |
CP0549825
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| Compound Name |
(3S)-3-[[1-(1-benzothiophene-2-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 |
C26H22F4N2O6S
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| Molecular Weight |
566.529
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C26H22F4N2O6S/c27-15-10-16(28)23(30)24(22(15)29)38-12-18(33)17(11-21(34)35)31-25(36)13-5-7-32(8-6-13)26(37)20-9-14-3-1-2-4-19(14)39-20/h1-4,9-10,13,17H,5-8,11-12H2,(H,31,36)(H,34,35)/t17-/m0/s1
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| InChIKey |
GLDZUTRBMYOCBE-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