General Information of the Compound
| Compound ID |
CP0951179
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| Compound Name |
N-(4-(4-(6-butylquinolin-8-yloxy)piperidin-1-yl)butyl)-N-methylethanesulfonamide dihydrochloride
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| Structure |
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| Formula |
C25H41Cl2N3O3S
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| Molecular Weight |
534.594
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| Canonical SMILES |
CCCCc1cc(OC2CCN(CCCCN(C)S(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
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| InChI |
InChI=1S/C25H39N3O3S.2ClH/c1-4-6-10-21-19-22-11-9-14-26-25(22)24(20-21)31-23-12-17-28(18-13-23)16-8-7-15-27(3)32(29,30)5-2;;/h9,11,14,19-20,23H,4-8,10,12-13,15-18H2,1-3H3;2*1H
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| InChIKey |
FJPVXOICXTUSOE-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