General Information of the Compound
| Compound ID |
CP0426206
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| Compound Name |
2-[5-(2,2-dimethylbutyl)-2-[2-(4-pyridin-2-ylphenyl)ethyl]imidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)n1CC(O)=O
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| InChI |
InChI=1S/C24H29N3O2/c1-4-24(2,3)15-20-16-26-22(27(20)17-23(28)29)13-10-18-8-11-19(12-9-18)21-7-5-6-14-25-21/h5-9,11-12,14,16H,4,10,13,15,17H2,1-3H3,(H,28,29)
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| InChIKey |
SLXOGTQLZXJWHG-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