General Information of the Compound
| Compound ID |
CP0941267
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| Compound Name |
2,6-difluoro-N-(3-fluoro-5-(2-isopropyl-5-(2-(6-morpholinopyridin-3-ylamino)pyrimidin-4-yl)thiazol-4-yl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C31H28F3N7O3S2
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| Molecular Weight |
667.739
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| Canonical SMILES |
CC(C)c1nc(-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
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| InChI |
InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-14-20(32)16-22(15-19)40-46(42,43)29-23(33)4-3-5-24(29)34)28(45-30)25-8-9-35-31(38-25)37-21-6-7-26(36-17-21)41-10-12-44-13-11-41/h3-9,14-18,40H,10-13H2,1-2H3,(H,35,37,38)
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| InChIKey |
DLBKYRULRFBWPH-UHFFFAOYSA-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