General Information of the Compound
| Compound ID |
CP0401436
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| Compound Name |
4'-(2-(5-(3-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(Cc3cccc(c3)C#N)[nH]2)cc1
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| InChI |
InChI=1S/C26H21N3O2/c27-16-20-5-3-4-19(14-20)15-22-17-28-25(29-22)13-10-18-8-11-21(12-9-18)23-6-1-2-7-24(23)26(30)31/h1-9,11-12,14,17H,10,13,15H2,(H,28,29)(H,30,31)
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| InChIKey |
RCCBJHSSJMJYJP-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