General Information of the Compound
| Compound ID |
CP0522736
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| Compound Name |
4-(4-(7-(quinolin-2-ylmethoxy)naphthalen-2-yloxy)butyl)benzoic acid
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| Structure |
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| Formula |
C31H27NO4
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| Molecular Weight |
477.56
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| Canonical SMILES |
OC(=O)c1ccc(CCCCOc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
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| InChI |
InChI=1S/C31H27NO4/c33-31(34)25-10-8-22(9-11-25)5-3-4-18-35-28-16-13-23-14-17-29(20-26(23)19-28)36-21-27-15-12-24-6-1-2-7-30(24)32-27/h1-2,6-17,19-20H,3-5,18,21H2,(H,33,34)
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| InChIKey |
JIIDDHRHKUIWRC-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