General Information of the Compound
| Compound ID |
CP0457904
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| Compound Name |
2-{1-[(2-iodobenzene)sulfonyl]-1H-indol-3-yl}ethan-1-amine
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| Structure |
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| Formula |
C16H15IN2O2S
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| Molecular Weight |
426.279
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| Canonical SMILES |
NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1I
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| InChI |
InChI=1S/C16H15IN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2
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| InChIKey |
OSMVHYMSKLVMLP-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