General Information of the Compound
| Compound ID |
CP0432833
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| Compound Name |
(S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
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| Structure |
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| Formula |
C13H20N2S
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| Molecular Weight |
236.384
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| Canonical SMILES |
CCSc1ccc2CCN(C[C@H](C)N)c2c1
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| InChI |
InChI=1S/C13H20N2S/c1-3-16-12-5-4-11-6-7-15(9-10(2)14)13(11)8-12/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m0/s1
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| InChIKey |
ZATISPXVUJXJRK-JTQLQIEISA-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C