General Information of the Compound
| Compound ID |
CP0946943
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| Compound Name |
6-butyl-8-(1-(3-(isopropylsulfonyl)propyl)piperidin-4-yloxy)quinoline dihydrochloride
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| Structure |
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| Formula |
C24H38Cl2N2O3S
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| Molecular Weight |
505.552
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)C)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C24H36N2O3S.2ClH/c1-4-5-8-20-17-21-9-6-12-25-24(21)23(18-20)29-22-10-14-26(15-11-22)13-7-16-30(27,28)19(2)3;;/h6,9,12,17-19,22H,4-5,7-8,10-11,13-16H2,1-3H3;2*1H
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| InChIKey |
GQRBFZDQTVSPPA-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