General Information of the Compound
| Compound ID |
CP0852399
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| Compound Name |
1-[2-(4-Trifluoromethyl-phenylsulfanyl)-phenyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C17H18ClF3N2S
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| Molecular Weight |
374.859
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| Canonical SMILES |
Cl.FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1
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| InChI |
InChI=1S/C17H17F3N2S.ClH/c18-17(19,20)13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)22-11-9-21-10-12-22;/h1-8,21H,9-12H2;1H
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| InChIKey |
YTJNKAUGQNPJTI-UHFFFAOYSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A