General Information of the Compound
| Compound ID |
CP0049182
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| Compound Name |
1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(piperazin-1-yl)-1H-pyrrolo[3,2-b]pyridine
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| Structure |
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| Formula |
C16H15ClN6O2S2
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| Molecular Weight |
422.923
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| Canonical SMILES |
Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)N1CCNCC1
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| InChI |
InChI=1S/C16H15ClN6O2S2/c17-14-15(22-7-8-26-16(22)20-14)27(24,25)23-4-1-12-13(23)9-11(10-19-12)21-5-2-18-3-6-21/h1,4,7-10,18H,2-3,5-6H2
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| InChIKey |
AVOMNNXOQGDQAW-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