General Information of the Compound
| Compound ID |
CP0850185
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| Compound Name |
4'-(2-(5-butyl-1H-imidazol-2-yl)vinyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
CCCCc1cnc(/C=C/c2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
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| InChI |
InChI=1S/C22H22N2O2/c1-2-3-6-18-15-23-21(24-18)14-11-16-9-12-17(13-10-16)19-7-4-5-8-20(19)22(25)26/h4-5,7-15H,2-3,6H2,1H3,(H,23,24)(H,25,26)/b14-11+
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| InChIKey |
UHYTWWXQVMCSAC-SDNWHVSQSA-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3