General Information of the Compound
| Compound ID |
CP0432750
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| Compound Name |
N-[3-[4-[4-[cyclohexylmethylsulfonyl(methyl)amino]butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C24H40N4O3S
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| Molecular Weight |
464.676
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| Canonical SMILES |
CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
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| InChI |
InChI=1S/C24H40N4O3S/c1-21(29)25-23-11-8-12-24(19-23)28-17-15-27(16-18-28)14-7-6-13-26(2)32(30,31)20-22-9-4-3-5-10-22/h8,11-12,19,22H,3-7,9-10,13-18,20H2,1-2H3,(H,25,29)
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| InChIKey |
TYHOTEDHXUXEPY-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