General Information of the Compound
| Compound ID |
CP0443187
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| Compound Name |
3-pyridin-2-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(c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccn1
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| InChI |
InChI=1S/C28H22F3NO3/c29-28(30,31)23-11-7-20(8-12-23)22-5-3-4-19(16-22)18-35-24-13-9-21(10-14-24)25(17-27(33)34)26-6-1-2-15-32-26/h1-16,25H,17-18H2,(H,33,34)
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| InChIKey |
VORVEWZQSRNQKB-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