General Information of the Compound
| Compound ID |
CP0450319
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| Compound Name |
ethyl 1-[3-[4-(phenylcarbamoylsulfamoyl)phenoxy]propyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C24H31N3O6S
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| Molecular Weight |
489.594
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| Canonical SMILES |
CCOC(=O)C1CCN(CCCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1
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| InChI |
InChI=1S/C24H31N3O6S/c1-2-32-23(28)19-13-16-27(17-14-19)15-6-18-33-21-9-11-22(12-10-21)34(30,31)26-24(29)25-20-7-4-3-5-8-20/h3-5,7-12,19H,2,6,13-18H2,1H3,(H2,25,26,29)
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| InChIKey |
CWANCWKBIVSSNE-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