General Information of the Compound
| Compound ID |
CP0521446
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| Compound Name |
1-benzhydryl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C28H33N3O4S
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| Molecular Weight |
507.656
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| Canonical SMILES |
O=C(NC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H33N3O4S/c32-28(29-27(23-11-4-1-5-12-23)24-13-6-2-7-14-24)30-36(33,34)26-17-15-25(16-18-26)35-22-10-21-31-19-8-3-9-20-31/h1-2,4-7,11-18,27H,3,8-10,19-22H2,(H2,29,30,32)
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| InChIKey |
IUKQBTKUMMUORZ-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