General Information of the Compound
| Compound ID |
CP0407688
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| Compound Name |
4'-(2-(5-butyl-1H-imidazol-2-yl)pentyl)biphenyl-2-carboxylic acid
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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 |
CCCCc1cnc([nH]1)C(CCC)Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C25H30N2O2/c1-3-5-9-21-17-26-24(27-21)20(8-4-2)16-18-12-14-19(15-13-18)22-10-6-7-11-23(22)25(28)29/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,26,27)(H,28,29)
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| InChIKey |
XFCSJKSTWDYDMU-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