General Information of the Compound
| Compound ID |
CP0420998
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| Compound Name |
(E)-4-methyl-6-[2-[[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]phenoxy]hex-4-enoic acid
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| Structure |
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| Formula |
C25H25F3N2O3
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| Molecular Weight |
458.48
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| Canonical SMILES |
C\C(CCC(O)=O)=C/COc1ccccc1Cc1c(C)cnn1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N2O3/c1-17(7-12-24(31)32)13-14-33-23-6-4-3-5-19(23)15-22-18(2)16-29-30(22)21-10-8-20(9-11-21)25(26,27)28/h3-6,8-11,13,16H,7,12,14-15H2,1-2H3,(H,31,32)/b17-13+
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| InChIKey |
OTMZQLCJJSPSHH-GHRIWEEISA-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