General Information of the Compound
| Compound ID |
CP0401495
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| Compound Name |
3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1
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| InChI |
InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)
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| InChIKey |
PQISNHZUGIWXPU-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