General Information of the Compound
| Compound ID |
CP0111125
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| Compound Name |
(E)-6-{2-[6-(2,5-Dimethyl-phenyl)-4-(4-fluoro-phenyl)-2-isopropyl-pyridin-3-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
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| Structure |
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| Formula |
C29H30FNO3
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| Molecular Weight |
459.561
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| Canonical SMILES |
CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C
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| InChI |
InChI=1S/C29H30FNO3/c1-17(2)29-24(12-11-23-14-22(32)15-28(33)34-23)26(20-7-9-21(30)10-8-20)16-27(31-29)25-13-18(3)5-6-19(25)4/h5-13,16-17,22-23,32H,14-15H2,1-4H3/b12-11+/t22-,23-/m1/s1
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| InChIKey |
CEFUFHDOLDUHBA-IJIRNXSHSA-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