General Information of the Compound
| Compound ID |
CP0407687
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| Compound Name |
4'-(2-(5-(4-methoxybenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
COc1ccc(Cc2cnc(CCc3ccc(cc3)-c3ccccc3C(O)=O)[nH]2)cc1
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| InChI |
InChI=1S/C26H24N2O3/c1-31-22-13-8-19(9-14-22)16-21-17-27-25(28-21)15-10-18-6-11-20(12-7-18)23-4-2-3-5-24(23)26(29)30/h2-9,11-14,17H,10,15-16H2,1H3,(H,27,28)(H,29,30)
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| InChIKey |
CXKIPYCVARNYCW-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