General Information of the Compound
| Compound ID |
CP0528290
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| Compound Name |
2-[4-[2-[1-(2-carboxyethyl)-5-(2,2-dimethylpropyl)imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoic acid
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| Structure |
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| Formula |
C26H29FN2O4
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| Molecular Weight |
452.526
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| Canonical SMILES |
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCC(O)=O
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| InChI |
InChI=1S/C26H29FN2O4/c1-26(2,3)15-19-16-28-22(29(19)14-13-23(30)31)12-9-17-7-10-18(11-8-17)20-5-4-6-21(27)24(20)25(32)33/h4-8,10-11,16H,9,12-15H2,1-3H3,(H,30,31)(H,32,33)
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| InChIKey |
SUZUAOYIRQLNOG-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3