General Information of the Compound
| Compound ID |
CP0542417
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| Compound Name |
3-[4-[[3-(4-methylsulfonylphenyl)phenyl]methoxy]phenyl]prop-2-ynoic acid
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| Structure |
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| Formula |
C23H18O5S
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| Molecular Weight |
406.459
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cccc(COc2ccc(cc2)C#CC(O)=O)c1
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| InChI |
InChI=1S/C23H18O5S/c1-29(26,27)22-12-8-19(9-13-22)20-4-2-3-18(15-20)16-28-21-10-5-17(6-11-21)7-14-23(24)25/h2-6,8-13,15H,16H2,1H3,(H,24,25)
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| InChIKey |
VMYOBUFTBYZKLD-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