General Information of the Compound
| Compound ID |
CP0852398
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| Compound Name |
1-[2-(4-tert-Butyl-phenylsulfanyl)-phenyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C20H27ClN2S
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| Molecular Weight |
362.97
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| Canonical SMILES |
CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1.Cl
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| InChI |
InChI=1S/C20H26N2S.ClH/c1-20(2,3)16-8-10-17(11-9-16)23-19-7-5-4-6-18(19)22-14-12-21-13-15-22;/h4-11,21H,12-15H2,1-3H3;1H
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| InChIKey |
JBYIRSHDOBNQGW-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