General Information of the Compound
| Compound ID |
CP0915497
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| Compound Name |
6-butyl-8-(1-(2-(ethylsulfonyl)ethyl)piperidin-4-yloxy)quinoline dihydrochloride
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| Structure |
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| Formula |
C22H34Cl2N2O3S
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| Molecular Weight |
477.498
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C22H32N2O3S.2ClH/c1-3-5-7-18-16-19-8-6-11-23-22(19)21(17-18)27-20-9-12-24(13-10-20)14-15-28(25,26)4-2;;/h6,8,11,16-17,20H,3-5,7,9-10,12-15H2,1-2H3;2*1H
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| InChIKey |
UHSJPSKXCWJZMX-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