General Information of the Compound
| Compound ID |
CP0428897
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| Compound Name |
1-phenyl-3-[4-(4-piperidin-1-ylbutoxy)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 |
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H29N3O4S/c26-22(23-19-9-3-1-4-10-19)24-30(27,28)21-13-11-20(12-14-21)29-18-8-7-17-25-15-5-2-6-16-25/h1,3-4,9-14H,2,5-8,15-18H2,(H2,23,24,26)
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| InChIKey |
MFQVTNXJRDLTSU-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