General Information of the Compound
| Compound ID |
CP0047319
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| Compound Name |
1-(2,2-dimethylpropyl)-3-methyl-5-[(1S,4S)-5-(thiadiazole-4-carbonyl)-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 |
C21H27N7O2S
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| Molecular Weight |
441.561
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| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1C[C@@H]2CC[C@H]1CN2C(=O)c1csnn1
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| InChI |
InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3/t13-,14-/m0/s1
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| InChIKey |
UXKSQZZBCSFGQA-KBPBESRZSA-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