General Information of the Compound
| Compound ID |
CP0463469
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| Compound Name |
2-[5-(2,2-dimethylpropyl)-2-[2-[4-(2-methoxycarbonylphenyl)phenyl]ethyl]imidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H30N2O4
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| Molecular Weight |
434.536
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CC(O)=O)cc1
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| InChI |
InChI=1S/C26H30N2O4/c1-26(2,3)15-20-16-27-23(28(20)17-24(29)30)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)25(31)32-4/h5-10,12-13,16H,11,14-15,17H2,1-4H3,(H,29,30)
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| InChIKey |
MLQJVOORERTVQE-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