General Information of the Compound
| Compound ID |
CP0401462
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| Compound Name |
4'-(2-(5-tert-butyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
CC(C)(C)c1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
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| InChI |
InChI=1S/C22H24N2O2/c1-22(2,3)19-14-23-20(24-19)13-10-15-8-11-16(12-9-15)17-6-4-5-7-18(17)21(25)26/h4-9,11-12,14H,10,13H2,1-3H3,(H,23,24)(H,25,26)
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| InChIKey |
VDNWHLNMZRYNKW-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