General Information of the Compound
| Compound ID |
CP0522720
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| Compound Name |
N-benzyl-6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C24H33N3OS
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| Molecular Weight |
411.615
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| Canonical SMILES |
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
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| InChI |
InChI=1S/C24H33N3OS/c1-29-23-13-8-7-12-22(23)27-18-16-26(17-19-27)15-9-3-6-14-24(28)25-20-21-10-4-2-5-11-21/h2,4-5,7-8,10-13H,3,6,9,14-20H2,1H3,(H,25,28)
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| InChIKey |
HHJZLMLSFAAFSL-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor