General Information of the Compound
| Compound ID |
CP0462864
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| Compound Name |
4'-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl)-4,5-difluorobiphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C25H26F2N2O2
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| Molecular Weight |
424.491
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| Canonical SMILES |
OC(=O)c1cc(F)c(F)cc1-c1ccc(CCc2ncc(CC3CCCCC3)[nH]2)cc1
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| InChI |
InChI=1S/C25H26F2N2O2/c26-22-13-20(21(25(30)31)14-23(22)27)18-9-6-16(7-10-18)8-11-24-28-15-19(29-24)12-17-4-2-1-3-5-17/h6-7,9-10,13-15,17H,1-5,8,11-12H2,(H,28,29)(H,30,31)
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| InChIKey |
WRTOIQWQOCBQCT-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