General Information of the Compound
| Compound ID |
CP0575886
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| Compound Name |
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylsulfonylazetidin-3-yl)imidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C23H26ClN5O5S2
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| Molecular Weight |
552.078
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CN(C3)S(C)(=O)=O)c2=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C23H26ClN5O5S2/c1-35(31,32)9-3-8-27-18(11-16-10-17(24)4-5-20(16)27)15-28-22-12-25-7-6-21(22)29(23(28)30)19-13-26(14-19)36(2,33)34/h4-7,10-12,19H,3,8-9,13-15H2,1-2H3
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| InChIKey |
ATJVTFOLWQWDLN-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