General Information of the Compound
| Compound ID |
CP0456382
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| Compound Name |
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butyl]-N-ethylquinoline-3-sulfonamide
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| Structure |
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| Formula |
C24H35N3O2S
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| Molecular Weight |
429.63
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| Canonical SMILES |
CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C24H35N3O2S/c1-2-27(30(28,29)23-17-21-10-5-6-12-24(21)25-18-23)15-8-7-14-26-16-13-20-9-3-4-11-22(20)19-26/h5-6,10,12,17-18,20,22H,2-4,7-9,11,13-16,19H2,1H3
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| InChIKey |
ABMOEXQUVMIFAR-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