General Information of the Compound
| Compound ID |
CP0912456
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| Compound Name |
1-[2-(3-Methyl-phenylsulfanyl)-phenyl]-piperazine Hydrochloride
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| Structure |
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| Formula |
C17H21ClN2S
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| Molecular Weight |
320.889
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| Canonical SMILES |
Cc1cccc(Sc2ccccc2N2CCNCC2)c1.Cl
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| InChI |
InChI=1S/C17H20N2S.ClH/c1-14-5-4-6-15(13-14)20-17-8-3-2-7-16(17)19-11-9-18-10-12-19;/h2-8,13,18H,9-12H2,1H3;1H
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| InChIKey |
YTAWEBKOATVAHD-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