General Information of the Compound
| Compound ID |
CP0518128
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| Compound Name |
3-[4-[[3-(3-methylphenyl)phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C23H18O3
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| Molecular Weight |
342.394
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| Canonical SMILES |
Cc1cccc(c1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
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| InChI |
InChI=1S/C23H18O3/c1-17-4-2-6-20(14-17)21-7-3-5-19(15-21)16-26-22-11-8-18(9-12-22)10-13-23(24)25/h2-9,11-12,14-15H,16H2,1H3,(H,24,25)
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| InChIKey |
RHCJLCBQWSHDGA-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