General Information of the Compound
| Compound ID |
CP0460793
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| Compound Name |
N-tert-butyl-2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethanesulfonamide
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| Structure |
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| Formula |
C24H37N3O3S
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| Molecular Weight |
447.645
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1
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| InChI |
InChI=1S/C24H37N3O3S/c1-5-6-8-19-17-20-9-7-12-25-23(20)22(18-19)30-21-10-13-27(14-11-21)15-16-31(28,29)26-24(2,3)4/h7,9,12,17-18,21,26H,5-6,8,10-11,13-16H2,1-4H3
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| InChIKey |
IVQAEXPSYGMKTP-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