General Information of the Compound
| Compound ID |
CP0452556
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| Compound Name |
5-(5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
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| Structure |
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H31N5O2/c1-25(2,3)16-30-20-12-13-21(26-22(20)27(4)24(30)32)28-14-19-11-10-18(28)15-29(19)23(31)17-8-6-5-7-9-17/h5-9,12-13,18-19H,10-11,14-16H2,1-4H3
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| InChIKey |
UELFYHQXZBSMTA-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