General Information of the Compound
| Compound ID |
CP0401437
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| Compound Name |
4'-(2-(5-isopentyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
CC(C)CCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
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| InChI |
InChI=1S/C23H26N2O2/c1-16(2)7-13-19-15-24-22(25-19)14-10-17-8-11-18(12-9-17)20-5-3-4-6-21(20)23(26)27/h3-6,8-9,11-12,15-16H,7,10,13-14H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
HWZRPXOVLFEPKD-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