General Information of the Compound
| Compound ID |
CP0494645
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| Compound Name |
1-(4-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C22H29N3O4S
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| Molecular Weight |
431.558
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| Canonical SMILES |
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C22H29N3O4S/c1-18-6-8-19(9-7-18)23-22(26)24-30(27,28)21-12-10-20(11-13-21)29-17-5-16-25-14-3-2-4-15-25/h6-13H,2-5,14-17H2,1H3,(H2,23,24,26)
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| InChIKey |
RHASISUJMWPYAI-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