General Information of the Compound
| Compound ID |
CP0528288
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| Compound Name |
2-[4-[2-[5-(2,2-dimethylpropyl)-1-[2-(3-hydroxyphenoxy)ethyl]imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoic acid
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| Structure |
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| Formula |
C31H33FN2O4
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| Molecular Weight |
516.613
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| Canonical SMILES |
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCOc1cccc(O)c1
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| InChI |
InChI=1S/C31H33FN2O4/c1-31(2,3)19-23-20-33-28(34(23)16-17-38-25-7-4-6-24(35)18-25)15-12-21-10-13-22(14-11-21)26-8-5-9-27(32)29(26)30(36)37/h4-11,13-14,18,20,35H,12,15-17,19H2,1-3H3,(H,36,37)
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| InChIKey |
KDSHVIVQYIAHFB-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