General Information of the Compound
| Compound ID |
CP0427385
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| Compound Name |
N-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentyl]-N-ethylquinoline-8-sulfonamide
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| Structure |
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| Formula |
C25H37N3O2S
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| Molecular Weight |
443.657
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| Canonical SMILES |
CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C25H37N3O2S/c1-2-28(31(29,30)24-14-8-12-22-13-9-16-26-25(22)24)18-7-3-6-17-27-19-15-21-10-4-5-11-23(21)20-27/h8-9,12-14,16,21,23H,2-7,10-11,15,17-20H2,1H3
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| InChIKey |
NFWYKNZYWPLWFU-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7