General Information of the Compound
| Compound ID |
CP0494646
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| Compound Name |
1-(2,5-dichlorophenyl)-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C20H23Cl2N3O4S
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| Molecular Weight |
472.394
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| Canonical SMILES |
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)c1
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| InChI |
InChI=1S/C20H23Cl2N3O4S/c21-15-4-9-18(22)19(14-15)23-20(26)24-30(27,28)17-7-5-16(6-8-17)29-13-3-12-25-10-1-2-11-25/h4-9,14H,1-3,10-13H2,(H2,23,24,26)
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| InChIKey |
RDFFJRALHWYQNP-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