General Information of the Compound
| Compound ID |
CP0430659
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| Compound Name |
1-[4-(4-piperidin-1-ylbutoxy)phenyl]sulfonyl-3-propan-2-ylurea
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| Structure |
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| Formula |
C19H31N3O4S
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| Molecular Weight |
397.541
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| Canonical SMILES |
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C19H31N3O4S/c1-16(2)20-19(23)21-27(24,25)18-10-8-17(9-11-18)26-15-7-6-14-22-12-4-3-5-13-22/h8-11,16H,3-7,12-15H2,1-2H3,(H2,20,21,23)
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| InChIKey |
ULBVTLJLKMZRBO-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