General Information of the Compound
| Compound ID |
CP0517766
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| Compound Name |
5-isoquinolin-4-yl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C21H22N2
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| Molecular Weight |
302.421
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| Canonical SMILES |
CN(C)C1CCc2c(C1)cccc2-c1cncc2ccccc12
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| InChI |
InChI=1S/C21H22N2/c1-23(2)17-10-11-19-15(12-17)7-5-9-20(19)21-14-22-13-16-6-3-4-8-18(16)21/h3-9,13-14,17H,10-12H2,1-2H3
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| InChIKey |
FXINCGSMEJQTMY-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