General Information of the Compound
| Compound ID |
CP0392630
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| Compound Name |
3-[4-[[3-[3-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C23H15F3O3
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| Molecular Weight |
396.364
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| Canonical SMILES |
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H15F3O3/c24-23(25,26)20-6-2-5-19(14-20)18-4-1-3-17(13-18)15-29-21-10-7-16(8-11-21)9-12-22(27)28/h1-8,10-11,13-14H,15H2,(H,27,28)
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| InChIKey |
XAAUCWPINAVPQE-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