General Information of the Compound
| Compound ID |
CP0395221
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| Compound Name |
[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]phenyl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C20H22F3NO3S
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| Molecular Weight |
413.461
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)Oc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
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| InChI |
InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
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| InChIKey |
GHZCAYNGRYIDPW-GOSISDBHSA-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