General Information of the Compound
| Compound ID |
CP0384384
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| Compound Name |
4'-(2-(5-(2-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 |
COc1ccccc1Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
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| InChI |
InChI=1S/C26H24N2O3/c1-31-24-9-5-2-6-20(24)16-21-17-27-25(28-21)15-12-18-10-13-19(14-11-18)22-7-3-4-8-23(22)26(29)30/h2-11,13-14,17H,12,15-16H2,1H3,(H,27,28)(H,29,30)
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| InChIKey |
GGCIRWSFNZPXCN-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