General Information of the Compound
| Compound ID |
CP0054590
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| Compound Name |
5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-pyridin-4-yl}-3-methyl-penta-2,4-dienoic acid
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| Structure |
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| Formula |
C25H28F3NO3
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| Molecular Weight |
447.497
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cnccc1\C=C\C(\C)=C\C(O)=O
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| InChI |
InChI=1S/C25H28F3NO3/c1-15(2)19-11-20(16(3)4)24(32-14-25(26,27)28)21(12-19)22-13-29-9-8-18(22)7-6-17(5)10-23(30)31/h6-13,15-16H,14H2,1-5H3,(H,30,31)/b7-6+,17-10+
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| InChIKey |
IJKIEQVMZRPXJB-HKHMFKSASA-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