General Information of the Compound
| Compound ID |
CP0444062
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| Compound Name |
1-(2,5-dichlorophenyl)-3-[4-(4-piperidin-1-ylbutoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C22H27Cl2N3O4S
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| Molecular Weight |
500.448
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| Canonical SMILES |
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)c1
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| InChI |
InChI=1S/C22H27Cl2N3O4S/c23-17-6-11-20(24)21(16-17)25-22(28)26-32(29,30)19-9-7-18(8-10-19)31-15-5-4-14-27-12-2-1-3-13-27/h6-11,16H,1-5,12-15H2,(H2,25,26,28)
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| InChIKey |
YSUYYUNXJLWLFZ-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2