General Information of the Compound
| Compound ID |
CP0476749
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| Compound Name |
3-[4-[[3-(2,5-difluorophenyl)phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C22H14F2O3
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| Molecular Weight |
364.347
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| Canonical SMILES |
OC(=O)C#Cc1ccc(OCc2cccc(c2)-c2cc(F)ccc2F)cc1
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| InChI |
InChI=1S/C22H14F2O3/c23-18-7-10-21(24)20(13-18)17-3-1-2-16(12-17)14-27-19-8-4-15(5-9-19)6-11-22(25)26/h1-5,7-10,12-13H,14H2,(H,25,26)
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| InChIKey |
CTDPWPVKPNYHBE-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