General Information of the Compound
| Compound ID |
CP0373270
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| Compound Name |
3-(5-chloro-thiophene-2-sulfonyl)-1-pyrrolidin-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(CS(=O)(=O)c2cn(C3CCNC3)c3ncccc23)s1
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| InChI |
InChI=1S/C16H16ClN3O2S2/c17-15-4-3-12(23-15)10-24(21,22)14-9-20(11-5-7-18-8-11)16-13(14)2-1-6-19-16/h1-4,6,9,11,18H,5,7-8,10H2
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| InChIKey |
VZQAAXLQPHFJEF-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