General Information of the Compound
| Compound ID |
CP0076824
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| Compound Name |
4-(4-heptylphenyl)benzoic acid
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| Structure |
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| Formula |
C20H24O2
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| Molecular Weight |
296.41
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| Canonical SMILES |
CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
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| InChIKey |
XVROSBHWACAQRL-UHFFFAOYSA-N
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| CAS |
70287-74-0
92758-27-5
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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