General Information of the Compound
| Compound ID |
CP0401440
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| Compound Name |
4'-(2-(5-(cyclopropylmethyl)-1H-imidazol-2-yl)ethyl)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 |
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CC3)[nH]2)cc1
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| InChI |
InChI=1S/C22H22N2O2/c25-22(26)20-4-2-1-3-19(20)17-10-7-15(8-11-17)9-12-21-23-14-18(24-21)13-16-5-6-16/h1-4,7-8,10-11,14,16H,5-6,9,12-13H2,(H,23,24)(H,25,26)
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| InChIKey |
AGMNPVMHDNNHHQ-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