General Information of the Compound
| Compound ID |
CP0968898
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| Compound Name |
(S)-2-((S)-4,4-difluoro-3-(5-(methylsulfonylmethyl)-6-oxo-1,6-dihydropyridin-3-yl)piperidin-1-yl)-N-(5-(2,4-difluorophenoxy)pyridin-2-yl)propanamide
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| Structure |
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| Formula |
C26H26F4N4O5S
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| Molecular Weight |
582.576
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| Canonical SMILES |
C[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(CS(C)(=O)=O)c2)C1
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| InChI |
InChI=1S/C26H26F4N4O5S/c1-15(24(35)33-23-6-4-19(12-31-23)39-22-5-3-18(27)10-21(22)28)34-8-7-26(29,30)20(13-34)16-9-17(14-40(2,37)38)25(36)32-11-16/h3-6,9-12,15,20H,7-8,13-14H2,1-2H3,(H,32,36)(H,31,33,35)/t15-,20+/m0/s1
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| InChIKey |
XVYUTJXUHASOSR-MGPUTAFESA-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