General Information of the Compound
| Compound ID |
CP0446948
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| Compound Name |
1-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C21H27N3O4S
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| Molecular Weight |
417.531
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| Canonical SMILES |
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C21H27N3O4S/c25-21(22-18-8-3-1-4-9-18)23-29(26,27)20-12-10-19(11-13-20)28-17-7-16-24-14-5-2-6-15-24/h1,3-4,8-13H,2,5-7,14-17H2,(H2,22,23,25)
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| InChIKey |
FACGEBLWZYLRML-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