General Information of the Compound
| Compound ID |
CP0468929
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| Compound Name |
methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]ethyl]phenoxy]-2-methylpropanoate
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| Structure |
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| Formula |
C21H30N2O3
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| Molecular Weight |
358.482
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| Canonical SMILES |
COC(=O)C(C)(C)Oc1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1
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| InChI |
InChI=1S/C21H30N2O3/c1-20(2,3)13-16-14-22-18(23-16)12-9-15-7-10-17(11-8-15)26-21(4,5)19(24)25-6/h7-8,10-11,14H,9,12-13H2,1-6H3,(H,22,23)
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| InChIKey |
LXCVTWQJIAIWKR-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