General Information of the Compound
| Compound ID |
CP0494145
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| Compound Name |
[(5S,6R)-5-methyl-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C15H20F3NO3S
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| Molecular Weight |
351.39
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| Canonical SMILES |
CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C
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| InChI |
InChI=1S/C15H20F3NO3S/c1-3-9-19-13-8-7-12-11(10(13)2)5-4-6-14(12)22-23(20,21)15(16,17)18/h4-6,10,13,19H,3,7-9H2,1-2H3/t10-,13+/m0/s1
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| InChIKey |
VQKRNRNICNEGLE-GXFFZTMASA-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: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor