General Information of the Compound
| Compound ID |
CP0159490
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| Compound Name |
(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-N,3,5-trihydroxyhept-6-enamide
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| Structure |
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| Formula |
C22H29FN4O6S
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| Molecular Weight |
496.561
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| Canonical SMILES |
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
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| InChIKey |
MBEZFQPSYDEVRF-VEUZHWNKSA-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