General Information of the Compound
| Compound ID |
CP0853877
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| Compound Name |
6-butyl-8-(1-(4-(tert-butylsulfonyl)butyl)piperidin-4-yloxy)quinoline dihydrochloride
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| Structure |
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| Formula |
C26H42Cl2N2O3S
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| Molecular Weight |
533.606
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C26H40N2O3S.2ClH/c1-5-6-10-21-19-22-11-9-14-27-25(22)24(20-21)31-23-12-16-28(17-13-23)15-7-8-18-32(29,30)26(2,3)4;;/h9,11,14,19-20,23H,5-8,10,12-13,15-18H2,1-4H3;2*1H
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| InChIKey |
VZEFGPJSAPUASC-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