General Information of the Compound
| Compound ID |
CP0430661
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| Compound Name |
1-(4-acetylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C23H29N3O5S
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| Molecular Weight |
459.568
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| Canonical SMILES |
CC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C23H29N3O5S/c1-18(27)19-6-8-20(9-7-19)24-23(28)25-32(29,30)22-12-10-21(11-13-22)31-17-5-16-26-14-3-2-4-15-26/h6-13H,2-5,14-17H2,1H3,(H2,24,25,28)
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| InChIKey |
QCLNKICPVIDCPK-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