General Information of the Compound
| Compound ID |
CP0428245
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| Compound Name |
1-(4-methylphenyl)-3-[4-(3-pyrrolidin-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 |
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1
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| InChI |
InChI=1S/C21H27N3O4S/c1-17-5-7-18(8-6-17)22-21(25)23-29(26,27)20-11-9-19(10-12-20)28-16-4-15-24-13-2-3-14-24/h5-12H,2-4,13-16H2,1H3,(H2,22,23,25)
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| InChIKey |
GPWVRSITITWBNH-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