General Information of the Compound
| Compound ID |
CP0291338
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| Compound Name |
3-benzenesulfonyl-1-(1-ethyl-pyrrolidin-3-yl)-1Hpyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H21N3O2S/c1-2-21-12-10-15(13-21)22-14-18(17-9-6-11-20-19(17)22)25(23,24)16-7-4-3-5-8-16/h3-9,11,14-15H,2,10,12-13H2,1H3
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| InChIKey |
IIIUJAFGZIWHQL-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