General Information of the Compound
| Compound ID |
CP0040625
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| Compound Name |
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C23H32N4O3S
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| Molecular Weight |
444.601
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C23H32N4O3S/c1-19-8-10-23(11-9-19)31(29,30)24-12-3-4-13-26-14-16-27(17-15-26)22-7-5-6-21(18-22)25-20(2)28/h5-11,18,24H,3-4,12-17H2,1-2H3,(H,25,28)
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| InChIKey |
GDSVOHILVQPEJQ-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