General Information of the Compound
| Compound ID |
CP0428432
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| Compound Name |
ethyl 1-[2-[4-(phenylcarbamoylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C23H29N3O6S
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| Molecular Weight |
475.567
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| Canonical SMILES |
CCOC(=O)C1CCN(CCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1
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| InChI |
InChI=1S/C23H29N3O6S/c1-2-31-22(27)18-12-14-26(15-13-18)16-17-32-20-8-10-21(11-9-20)33(29,30)25-23(28)24-19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H2,24,25,28)
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| InChIKey |
VJSHAKMNOPYPNJ-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