General Information of the Compound
| Compound ID |
CP0469533
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| Compound Name |
2-[3-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C18H21N3O2S
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| Molecular Weight |
343.452
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| Canonical SMILES |
CN(C)CCn1c(C)c(c2cccnc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H21N3O2S/c1-14-17(24(22,23)15-8-5-4-6-9-15)16-10-7-11-19-18(16)21(14)13-12-20(2)3/h4-11H,12-13H2,1-3H3
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| InChIKey |
BDKVBWPWGGJBRI-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