General Information of the Compound
| Compound ID |
CP0440150
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| Compound Name |
4'-(2-(5-(2-fluorobenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C25H21FN2O2
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| Molecular Weight |
400.453
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3F)[nH]2)cc1
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| InChI |
InChI=1S/C25H21FN2O2/c26-23-8-4-1-5-19(23)15-20-16-27-24(28-20)14-11-17-9-12-18(13-10-17)21-6-2-3-7-22(21)25(29)30/h1-10,12-13,16H,11,14-15H2,(H,27,28)(H,29,30)
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| InChIKey |
SEDKUKFPFUVSFM-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