General Information of the Compound
| Compound ID |
CP0418285
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| Compound Name |
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C20H22N2OS
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| Molecular Weight |
338.476
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| Canonical SMILES |
O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H22N2OS/c23-20-22(18-9-3-4-10-19(18)24-20)13-6-5-12-21-14-11-16-7-1-2-8-17(16)15-21/h1-4,7-10H,5-6,11-15H2
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| InChIKey |
LEYDYCSYNOHHON-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7