General Information of the Compound
| Compound ID |
CP0439175
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| Compound Name |
3-[(3-Fluorophenyl)sulfonyl]-1-(2-pyrrolidin-1-ylethyl)-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 |
Fc1cccc(c1)S(=O)(=O)c1cn(CCN2CCCC2)c2ncccc12
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| InChI |
InChI=1S/C19H20FN3O2S/c20-15-5-3-6-16(13-15)26(24,25)18-14-23(12-11-22-9-1-2-10-22)19-17(18)7-4-8-21-19/h3-8,13-14H,1-2,9-12H2
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| InChIKey |
VTFKTLQZOPMCPJ-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