General Information of the Compound
| Compound ID |
CP0459250
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| Compound Name |
7-m-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
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| Structure |
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| Formula |
C18H20N2S
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| Molecular Weight |
296.439
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| Canonical SMILES |
Cc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
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| InChI |
InChI=1S/C18H20N2S/c1-13-3-2-4-16(9-13)21-17-6-5-14-10-15-12-19-7-8-20(15)18(14)11-17/h2-6,9,11,15,19H,7-8,10,12H2,1H3
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| InChIKey |
DDQVUJBVMCTIEI-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
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6