General Information of the Compound
| Compound ID |
CP0468758
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| Compound Name |
4-[[5-(2,2-dimethylpropyl)-2-[2-[4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]ethyl]imidazol-1-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C32H33FN2O4
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| Molecular Weight |
528.624
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2Cc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C32H33FN2O4/c1-32(2,3)18-25-19-34-28(35(25)20-22-10-15-24(16-11-22)30(36)37)17-12-21-8-13-23(14-9-21)26-6-5-7-27(33)29(26)31(38)39-4/h5-11,13-16,19H,12,17-18,20H2,1-4H3,(H,36,37)
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| InChIKey |
BJZYPBUVSRXPNY-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