General Information of the Compound
| Compound ID |
CP0461937
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| Compound Name |
2-{1-[(4-methylbenzene)sulfonyl]-1H-indol-3-yl}ethan-1-amine
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| Synonyms |
1-Tosyl-1H-indole-3-ethaneamine
2-(1-tosyl-1H-indol-3-yl)ethanamine
BDBM21349
CHEMBL394303
SCHEMBL15250049
Substituted phenylsulfonyltryptamine, 11h
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| Structure |
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| Formula |
C17H18N2O2S
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| Molecular Weight |
314.41
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1cc(CCN)c2ccccc12
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| InChI |
InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-14(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3
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| InChIKey |
XKKWGBDMWUAPLE-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