General Information of the Compound
| Compound ID |
CP0443276
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| Compound Name |
2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C16H16FN3O2S
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| Molecular Weight |
333.388
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| Canonical SMILES |
CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C16H16FN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3
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| InChIKey |
KXMJOIWHVHUTOI-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