General Information of the Compound
| Compound ID |
CP0404568
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| Compound Name |
6-butyl-8-[1-(3-tert-butylsulfonylpropyl)piperidin-4-yl]oxyquinoline
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| Structure |
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| Formula |
C25H38N2O3S
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| Molecular Weight |
446.657
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1
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| InChI |
InChI=1S/C25H38N2O3S/c1-5-6-9-20-18-21-10-7-13-26-24(21)23(19-20)30-22-11-15-27(16-12-22)14-8-17-31(28,29)25(2,3)4/h7,10,13,18-19,22H,5-6,8-9,11-12,14-17H2,1-4H3
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| InChIKey |
HSINSDXPTLWBKS-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