General Information of the Compound
| Compound ID |
CP0081910
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| Compound Name |
4-(4-nonylphenyl)benzoic acid
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| Structure |
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| Formula |
C22H28O2
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| Molecular Weight |
324.464
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| Canonical SMILES |
CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)
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| InChIKey |
JEDSQOLKNJLVRX-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