General Information of the Compound
| Compound ID |
CP0421065
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| Compound Name |
3-[5-(2,2-dimethylpropyl)-2-[2-[4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]ethyl]imidazol-1-yl]propanoic acid
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| Structure |
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| Formula |
C27H31FN2O4
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| Molecular Weight |
466.553
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCC(O)=O)cc1
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| InChI |
InChI=1S/C27H31FN2O4/c1-27(2,3)16-20-17-29-23(30(20)15-14-24(31)32)13-10-18-8-11-19(12-9-18)21-6-5-7-22(28)25(21)26(33)34-4/h5-9,11-12,17H,10,13-16H2,1-4H3,(H,31,32)
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| InChIKey |
HAILRGHMXHIZSJ-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