General Information of the Compound
| Compound ID |
CP0459321
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| Compound Name |
1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]sulfonyl-3-[4-(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)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCC3)cc2)cc1
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| InChI |
InChI=1S/C22H26F3N3O4S/c23-22(24,25)17-5-7-18(8-6-17)26-21(29)27-33(30,31)20-11-9-19(10-12-20)32-16-4-3-15-28-13-1-2-14-28/h5-12H,1-4,13-16H2,(H2,26,27,29)
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| InChIKey |
OPKMNDOPURXJDG-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