General Information of the Compound
| Compound ID |
CP0398929
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| Compound Name |
2-[3-(5-chlorothiophen-2-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C15H16ClN3O2S2
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| Molecular Weight |
369.899
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| Canonical SMILES |
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C15H16ClN3O2S2/c1-18(2)8-9-19-10-12(11-4-3-7-17-15(11)19)23(20,21)14-6-5-13(16)22-14/h3-7,10H,8-9H2,1-2H3
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| InChIKey |
PDJITJJLUVVDDU-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