General Information of the Compound
| Compound ID |
CP0460417
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| Compound Name |
[4-[(3S)-1-propylpiperidin-3-yl]-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C16H19F6NO6S2
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| Molecular Weight |
499.451
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| Canonical SMILES |
CCCN1CCC[C@H](C1)c1ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C16H19F6NO6S2/c1-2-7-23-8-3-4-12(10-23)11-5-6-13(28-30(24,25)15(17,18)19)14(9-11)29-31(26,27)16(20,21)22/h5-6,9,12H,2-4,7-8,10H2,1H3/t12-/m1/s1
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| InChIKey |
DDEDFIYGQWYHBZ-GFCCVEGCSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor