General Information of the Compound
| Compound ID |
CP0905694
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| Compound Name |
N-(4-(4-(6-butylquinolin-8-yloxy)piperidin-1-yl)butyl)methanesulfonamide dihydrochloride
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| Structure |
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| Formula |
C23H37Cl2N3O3S
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| Molecular Weight |
506.54
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C23H35N3O3S.2ClH/c1-3-4-8-19-17-20-9-7-12-24-23(20)22(18-19)29-21-10-15-26(16-11-21)14-6-5-13-25-30(2,27)28;;/h7,9,12,17-18,21,25H,3-6,8,10-11,13-16H2,1-2H3;2*1H
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| InChIKey |
KMXUGQJXXGUEJK-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: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2