General Information of the Compound
| Compound ID |
CP0440145
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| Compound Name |
4'-(2-(5-butyl-1H-imidazol-2-yl)hexyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
CCCCC(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ncc(CCCC)[nH]1
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| InChI |
InChI=1S/C26H32N2O2/c1-3-5-9-21(25-27-18-22(28-25)10-6-4-2)17-19-13-15-20(16-14-19)23-11-7-8-12-24(23)26(29)30/h7-8,11-16,18,21H,3-6,9-10,17H2,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
DHDWHBGBFRLMTK-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
Protein ID: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3