General Information of the Compound
| Compound ID |
CP0558516
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| Compound Name |
(2S,4R,5S)-N-[[5-cyano-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C24H19F5N6O3S
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| Molecular Weight |
566.512
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| Canonical SMILES |
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(-c2cnc(nc2)C(F)(F)F)c(cn1)C#N
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| InChI |
InChI=1S/C24H19F5N6O3S/c1-13-20(26)7-21(35(13)39(37,38)18-4-2-16(25)3-5-18)22(36)32-12-17-6-19(14(8-30)9-31-17)15-10-33-23(34-11-15)24(27,28)29/h2-6,9-11,13,20-21H,7,12H2,1H3,(H,32,36)/t13-,20+,21-/m0/s1
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| InChIKey |
ZEPHBHNMKKSYEJ-DYXDTQHNSA-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