General Information of the Compound
| Compound ID |
CP0887676
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| Compound Name |
1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-methyl-4-phenyl-1H-imidazol-5(4H)-one
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| Formula |
C28H28N6O
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| Molecular Weight |
464.573
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| Canonical SMILES |
CCCCC1=NC(C)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C28H28N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,30,31,32,33)
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| InChIKey |
RRFIJSWWTWPMAC-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: PT05756, Leukotriene B4 receptor 2
Protein ID: PT01197, Type-1 angiotensin II receptor