General Information of the Compound
| Compound ID |
CP0882250
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| Compound Name |
1-[2-(4-Chloro-phenylsulfanyl)-5-methyl-phenyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C17H20Cl2N2S
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| Molecular Weight |
355.334
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| Canonical SMILES |
Cc1ccc(Sc2ccc(Cl)cc2)c(N2CCNCC2)c1.Cl
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| InChI |
InChI=1S/C17H19ClN2S.ClH/c1-13-2-7-17(21-15-5-3-14(18)4-6-15)16(12-13)20-10-8-19-9-11-20;/h2-7,12,19H,8-11H2,1H3;1H
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| InChIKey |
QFTFRCOFPNGFPT-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