General Information of the Compound
| Compound ID |
CP0483428
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| Compound Name |
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C22H23ClN4O4S
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| Molecular Weight |
474.97
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3COC3)c2=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H23ClN4O4S/c1-32(29,30)8-2-7-25-17(10-15-9-16(23)3-4-19(15)25)12-26-21-11-24-6-5-20(21)27(22(26)28)18-13-31-14-18/h3-6,9-11,18H,2,7-8,12-14H2,1H3
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| InChIKey |
JXEOFPHTYMXJHK-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