General Information of the Compound
| Compound ID |
CP0109693
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| Compound Name |
N-[3-[4-[4-(2-methylpropylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C20H34N4O3S
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| Molecular Weight |
410.584
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| Canonical SMILES |
CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
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| InChI |
InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
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| InChIKey |
UKUXMAFSBAOKLA-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