General Information of the Compound
| Compound ID |
CP0457746
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| Compound Name |
3-[4-[[3-(2-propan-2-ylphenyl)phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C25H22O3
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| Molecular Weight |
370.448
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| Canonical SMILES |
CC(C)c1ccccc1-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
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| InChI |
InChI=1S/C25H22O3/c1-18(2)23-8-3-4-9-24(23)21-7-5-6-20(16-21)17-28-22-13-10-19(11-14-22)12-15-25(26)27/h3-11,13-14,16,18H,17H2,1-2H3,(H,26,27)
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| InChIKey |
IPHVVECWIKNKEI-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