General Information of the Compound
| Compound ID |
CP0481427
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| Compound Name |
1-cyclohexyl-3-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C21H33N3O4S
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| Molecular Weight |
423.579
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| Canonical SMILES |
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C21H33N3O4S/c25-21(22-18-8-2-1-3-9-18)23-29(26,27)20-12-10-19(11-13-20)28-17-7-6-16-24-14-4-5-15-24/h10-13,18H,1-9,14-17H2,(H2,22,23,25)
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| InChIKey |
ULIBEBYWDFTIOT-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