General Information of the Compound
| Compound ID |
CP0063684
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| Compound Name |
(E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methyl-pyridin-3-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
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| Structure |
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| Formula |
C22H24FNO3
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| Molecular Weight |
369.436
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| Canonical SMILES |
CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
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| InChI |
InChI=1S/C22H24FNO3/c1-13(2)22-19(9-8-18-11-17(25)12-21(26)27-18)20(10-14(3)24-22)15-4-6-16(23)7-5-15/h4-10,13,17-18,25H,11-12H2,1-3H3/b9-8+/t17-,18-/m1/s1
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| InChIKey |
ROSRAJDGGIMAJE-RKQNLGICSA-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