General Information of the Compound
| Compound ID |
CP0407907
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| Compound Name |
N-[3-[4-[4-[methyl(2-methylpropylsulfonyl)amino]butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C21H36N4O3S
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| Molecular Weight |
424.611
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| Canonical SMILES |
CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
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| InChI |
InChI=1S/C21H36N4O3S/c1-18(2)17-29(27,28)23(4)10-5-6-11-24-12-14-25(15-13-24)21-9-7-8-20(16-21)22-19(3)26/h7-9,16,18H,5-6,10-15,17H2,1-4H3,(H,22,26)
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| InChIKey |
RSYFEHSGTZNRPM-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: PT00897, Potassium voltage-gated channel subfamily H member 2