General Information of the Compound
| Compound ID |
CP0504440
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| Compound Name |
3-{4-[2-(2',6'-Dimethylbiphenyl-3-yl)ethyl]phenyl}propanoic Acid
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| Structure |
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| Formula |
C25H26O2
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| Molecular Weight |
358.481
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C25H26O2/c1-18-5-3-6-19(2)25(18)23-8-4-7-22(17-23)14-13-20-9-11-21(12-10-20)15-16-24(26)27/h3-12,17H,13-16H2,1-2H3,(H,26,27)
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| InChIKey |
NGIRMRBISULAII-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