General Information of the Compound
| Compound ID |
CP0430947
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| Compound Name |
N,N-dimethyl-2-(3-thiophen-2-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
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| Structure |
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| Formula |
C15H17N3O2S2
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| Molecular Weight |
335.454
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| Canonical SMILES |
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C15H17N3O2S2/c1-17(2)8-9-18-11-13(12-5-3-7-16-15(12)18)22(19,20)14-6-4-10-21-14/h3-7,10-11H,8-9H2,1-2H3
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| InChIKey |
UMIQCSRFYTVZEC-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