General Information of the Compound
| Compound ID |
CP0113787
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| Compound Name |
1-(1-ethyl-pyrrolidin-3-yl)-3-(3-fluoro-benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H20FN3O2S
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| Molecular Weight |
373.453
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| Canonical SMILES |
CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C19H20FN3O2S/c1-2-22-10-8-15(12-22)23-13-18(17-7-4-9-21-19(17)23)26(24,25)16-6-3-5-14(20)11-16/h3-7,9,11,13,15H,2,8,10,12H2,1H3
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| InChIKey |
KKHSRRAAPRDEAZ-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