General Information of the Compound
| Compound ID |
CP0891181
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| Compound Name |
1-[2-(2-Chloro-4-methoxy-phenylsulfanyl)-phenyl]-piperazine Hydrochloride
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| Structure |
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| Formula |
C17H20Cl2N2OS
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| Molecular Weight |
371.333
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| Canonical SMILES |
COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1.Cl
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| InChI |
InChI=1S/C17H19ClN2OS.ClH/c1-21-13-6-7-16(14(18)12-13)22-17-5-3-2-4-15(17)20-10-8-19-9-11-20;/h2-7,12,19H,8-11H2,1H3;1H
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| InChIKey |
AYFCXRDVVSZQJL-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