General Information of the Compound
| Compound ID |
CP0544909
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| Compound Name |
3-pyridin-4-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C28H22F3NO3
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| Molecular Weight |
477.482
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| Canonical SMILES |
OC(=O)CC(c1ccncc1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H22F3NO3/c29-28(30,31)24-8-4-20(5-9-24)23-3-1-2-19(16-23)18-35-25-10-6-21(7-11-25)26(17-27(33)34)22-12-14-32-15-13-22/h1-16,26H,17-18H2,(H,33,34)
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| InChIKey |
GRHBFTBSWNONDH-UHFFFAOYSA-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