General Information of the Compound
| Compound ID |
CP0878528
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| Compound Name |
N-(4-(4-(6-butylquinolin-8-yloxy)piperidin-1-yl)butyl)-2-methylpropane-1-sulfonamide dihydrochloride
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| Structure |
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| Formula |
C26H43Cl2N3O3S
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| Molecular Weight |
548.621
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C26H41N3O3S.2ClH/c1-4-5-9-22-18-23-10-8-13-27-26(23)25(19-22)32-24-11-16-29(17-12-24)15-7-6-14-28-33(30,31)20-21(2)3;;/h8,10,13,18-19,21,24,28H,4-7,9,11-12,14-17,20H2,1-3H3;2*1H
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| InChIKey |
AIAIBZRYJIAVMC-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