General Information of the Compound
| Compound ID |
CP0431003
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| Compound Name |
2-{3-[(3,5-Dichlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine
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| Structure |
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| Formula |
C15H13Cl2N3O2S
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| Molecular Weight |
370.261
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| Canonical SMILES |
NCCn1cc(c2cccnc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C15H13Cl2N3O2S/c16-10-6-11(17)8-12(7-10)23(21,22)14-9-20(5-3-18)15-13(14)2-1-4-19-15/h1-2,4,6-9H,3,5,18H2
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| InChIKey |
MMPIOTKRWORPAQ-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