General Information of the Compound
| Compound ID |
CP0462291
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| Compound Name |
(3S)-3-[[1-[2-(2-cyanoanilino)-2-oxoacetyl]piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C26H22F4N4O7
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| Molecular Weight |
578.475
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1C#N)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C26H22F4N4O7/c27-15-9-16(28)22(30)23(21(15)29)41-12-19(35)18(10-20(36)37)33-24(38)13-5-7-34(8-6-13)26(40)25(39)32-17-4-2-1-3-14(17)11-31/h1-4,9,13,18H,5-8,10,12H2,(H,32,39)(H,33,38)(H,36,37)/t18-/m0/s1
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| InChIKey |
PQVKIKYXHJFZCJ-SFHVURJKSA-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