General Information of the Compound
| Compound ID |
CP0373979
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| Compound Name |
4'-(2-(5-(2-cyanobenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C26H21N3O2
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| Molecular Weight |
407.473
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3C#N)[nH]2)cc1
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| InChI |
InChI=1S/C26H21N3O2/c27-16-21-6-2-1-5-20(21)15-22-17-28-25(29-22)14-11-18-9-12-19(13-10-18)23-7-3-4-8-24(23)26(30)31/h1-10,12-13,17H,11,14-15H2,(H,28,29)(H,30,31)
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| InChIKey |
IYQZXDNMDLWUPP-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