General Information of the Compound
| Compound ID |
CP0502909
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| Compound Name |
7-(3-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
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| Structure |
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| Formula |
C18H17F3N2S
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| Molecular Weight |
350.409
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| Canonical SMILES |
FC(F)(F)c1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
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| InChI |
InChI=1S/C18H17F3N2S/c19-18(20,21)13-2-1-3-15(9-13)24-16-5-4-12-8-14-11-22-6-7-23(14)17(12)10-16/h1-5,9-10,14,22H,6-8,11H2
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| InChIKey |
XYEDCHJYYOEJSU-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