General Information of the Compound
| Compound ID |
CP0449786
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| Compound Name |
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
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| Synonyms |
2-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanamine
BDBM21341
CHEMBL363275
N1-Phenylsulfonyltryptamine, 11a
SCHEMBL1357126
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| Structure |
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| Formula |
C16H16N2O2S
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| Molecular Weight |
300.383
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| Canonical SMILES |
NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2
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| InChIKey |
GSOZASAZEKGFMK-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
Clinical Information about the Compound