General Information of the Compound
| Compound ID |
CP0468931
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| Compound Name |
methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1-[2-(3-hydroxyphenoxy)ethyl]imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C32H35FN2O4
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| Molecular Weight |
530.64
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCOc2cccc(O)c2)cc1
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| InChI |
InChI=1S/C32H35FN2O4/c1-32(2,3)20-24-21-34-29(35(24)17-18-39-26-8-5-7-25(36)19-26)16-13-22-11-14-23(15-12-22)27-9-6-10-28(33)30(27)31(37)38-4/h5-12,14-15,19,21,36H,13,16-18,20H2,1-4H3
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| InChIKey |
XLBWPNVCDZGWTN-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