General Information of the Compound
| Compound ID |
CP0419113
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| Compound Name |
2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C15H14ClN5O2S2
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| Molecular Weight |
395.897
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| Canonical SMILES |
CNCCn1cc(c2cccnc12)S(=O)(=O)c1c(Cl)nc2sccn12
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| InChI |
InChI=1S/C15H14ClN5O2S2/c1-17-5-6-20-9-11(10-3-2-4-18-13(10)20)25(22,23)14-12(16)19-15-21(14)7-8-24-15/h2-4,7-9,17H,5-6H2,1H3
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| InChIKey |
CTYXKOVPFGUJOK-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