General Information of the Compound
| Compound ID |
CP0537712
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| Compound Name |
methyl 2-[4-[3-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]propyl]phenyl]benzoate
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CCCc2ncc(CC(C)(C)C)[nH]2)cc1
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| InChI |
InChI=1S/C25H30N2O2/c1-25(2,3)16-20-17-26-23(27-20)11-7-8-18-12-14-19(15-13-18)21-9-5-6-10-22(21)24(28)29-4/h5-6,9-10,12-15,17H,7-8,11,16H2,1-4H3,(H,26,27)
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| InChIKey |
OFCPMDCIDZQSEX-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