General Information of the Compound
| Compound ID |
CP0113794
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| Compound Name |
3-[(5-chlorothien-2-yl)sulfonyl]-1-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C16H16ClN3O2S2
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| Molecular Weight |
381.91
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| Canonical SMILES |
Clc1ccc(s1)S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
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| InChI |
InChI=1S/C16H16ClN3O2S2/c17-14-5-6-15(23-14)24(21,22)13-10-20(11-3-1-7-18-9-11)16-12(13)4-2-8-19-16/h2,4-6,8,10-11,18H,1,3,7,9H2
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| InChIKey |
XNJBCLZUQVQMEM-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