General Information of the Compound
| Compound ID |
CP0430945
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| Compound Name |
2-[3-(3,5-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C17H17Cl2N3O2S
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| Molecular Weight |
398.315
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| Canonical SMILES |
CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C17H17Cl2N3O2S/c1-21(2)6-7-22-11-16(15-4-3-5-20-17(15)22)25(23,24)14-9-12(18)8-13(19)10-14/h3-5,8-11H,6-7H2,1-2H3
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| InChIKey |
XKGPWJVSSXUSSG-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