General Information of the Compound
| Compound ID |
CP0259814
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| Compound Name |
tert-butyl 4-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H23ClN6O4S2
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| Molecular Weight |
523.04
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
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| InChI |
InChI=1S/C21H23ClN6O4S2/c1-21(2,3)32-20(29)26-8-6-25(7-9-26)14-12-16-15(23-13-14)4-5-28(16)34(30,31)18-17(22)24-19-27(18)10-11-33-19/h4-5,10-13H,6-9H2,1-3H3
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| InChIKey |
JKYGLDWVDXTXJE-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