General Information of the Compound
| Compound ID |
CP0451135
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| Compound Name |
2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
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| Structure |
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| Formula |
C23H26N6O
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| Molecular Weight |
402.502
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| Canonical SMILES |
CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C23H26N6O/c1-4-5-10-20-24-23(2,3)22(30)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,25,26,27,28)
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| InChIKey |
DTQSQYVSPRWGGI-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