General Information of the Compound
| Compound ID |
CP0383203
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| Compound Name |
(3S)-4-oxo-3-[[1-[2-oxo-2-[2-(trifluoromethyl)anilino]acetyl]piperidine-4-carbonyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C26H22F7N3O7
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| Molecular Weight |
621.462
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C26H22F7N3O7/c27-14-9-15(28)21(30)22(20(14)29)43-11-18(37)17(10-19(38)39)35-23(40)12-5-7-36(8-6-12)25(42)24(41)34-16-4-2-1-3-13(16)26(31,32)33/h1-4,9,12,17H,5-8,10-11H2,(H,34,41)(H,35,40)(H,38,39)/t17-/m0/s1
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| InChIKey |
BYSTVVLGWKUJBI-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