General Information of the Compound
| Compound ID |
CP0467405
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| Compound Name |
1-[4-(4-piperidin-1-ylbutoxy)phenyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C23H28F3N3O4S
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| Molecular Weight |
499.555
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C23H28F3N3O4S/c24-23(25,26)18-6-8-19(9-7-18)27-22(30)28-34(31,32)21-12-10-20(11-13-21)33-17-5-4-16-29-14-2-1-3-15-29/h6-13H,1-5,14-17H2,(H2,27,28,30)
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| InChIKey |
UPQJAYMNBTUYIC-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