General Information of the Compound
| Compound ID |
CP0398227
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| Compound Name |
[2-[(3S)-1-propylpiperidin-3-yl]phenyl] 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 |
CCCN1CCC[C@H](C1)c1ccccc1OS(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C15H20F3NO3S/c1-2-9-19-10-5-6-12(11-19)13-7-3-4-8-14(13)22-23(20,21)15(16,17)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3/t12-/m1/s1
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| InChIKey |
IQMKIUFAVWKRQY-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