General Information of the Compound
| Compound ID |
CP0447839
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| Compound Name |
4'-(2-(5-(2-cyclohexylethyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CCC3CCCCC3)[nH]2)cc1
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| InChI |
InChI=1S/C26H30N2O2/c29-26(30)24-9-5-4-8-23(24)21-14-10-20(11-15-21)13-17-25-27-18-22(28-25)16-12-19-6-2-1-3-7-19/h4-5,8-11,14-15,18-19H,1-3,6-7,12-13,16-17H2,(H,27,28)(H,29,30)
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| InChIKey |
JBKJXYLMDCJPHL-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