General Information of the Compound
Compound ID |
CP0380298
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Compound Name |
1-(2,2-dimethylpropyl)-3-methyl-5-(5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)imidazo[4,5-b]pyridin-2-one
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Structure |
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Formula |
C22H29N7O
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Molecular Weight |
407.522
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Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2c1ncccn1
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InChI |
InChI=1S/C22H29N7O/c1-22(2,3)14-29-17-8-9-18(25-19(17)26(4)21(29)30)27-12-16-7-6-15(27)13-28(16)20-23-10-5-11-24-20/h5,8-11,15-16H,6-7,12-14H2,1-4H3
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InChIKey |
KXDNFDRKJLVHTK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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