General Information of the Compound
| Compound ID |
CP0528263
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| Compound Name |
2-[4-[2-[1-(carboxymethyl)-5-(2,2-dimethylpropyl)imidazol-2-yl]ethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C25H28N2O4
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| Molecular Weight |
420.509
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| Canonical SMILES |
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)n1CC(O)=O
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| InChI |
InChI=1S/C25H28N2O4/c1-25(2,3)14-19-15-26-22(27(19)16-23(28)29)13-10-17-8-11-18(12-9-17)20-6-4-5-7-21(20)24(30)31/h4-9,11-12,15H,10,13-14,16H2,1-3H3,(H,28,29)(H,30,31)
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| InChIKey |
JXGFINYBBJLOJI-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