General Information of the Compound
| Compound ID |
CP0428904
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| Compound Name |
1-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonyl-3-[2-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H26F3N3O4S
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| Molecular Weight |
485.528
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| Canonical SMILES |
FC(F)(F)c1ccccc1NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H26F3N3O4S/c23-22(24,25)19-7-2-3-8-20(19)26-21(29)27-33(30,31)18-11-9-17(10-12-18)32-16-6-15-28-13-4-1-5-14-28/h2-3,7-12H,1,4-6,13-16H2,(H2,26,27,29)
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| InChIKey |
QHFAGRBCKAJZRA-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