General Information of the Compound
| Compound ID |
CP0459368
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| Compound Name |
(S)-1-Propyl-3-[3-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidine
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| Structure |
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| Formula |
C16H22F3NO
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| Molecular Weight |
301.352
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| Canonical SMILES |
CCCN1CCC[C@H](C1)c1cccc(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C16H22F3NO/c1-2-8-20-9-4-6-14(11-20)13-5-3-7-15(10-13)21-12-16(17,18)19/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3/t14-/m1/s1
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| InChIKey |
RMFLBNXQMNGIHR-CQSZACIVSA-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