General Information of the Compound
| Compound ID |
CP0702373
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| Compound Name |
N-(4-{4-[(6-Butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide dihydrochloride
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| Structure |
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| Formula |
C24H39Cl2N3O3S
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| Molecular Weight |
520.567
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C24H37N3O3S.2ClH/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2;;/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3;2*1H
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| InChIKey |
ZNVJJQWPIRYVED-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2