General Information of the Compound
| Compound ID |
CP0897694
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| Compound Name |
6-Methoxy-1-methyl-4-(2-propionylamino-ethyl)-quinolinium iodide
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| Structure |
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| Formula |
C16H21IN2O2
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| Molecular Weight |
400.26
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| Canonical SMILES |
CCC(=O)NCCc1cc[n+](C)c2ccc(OC)cc12.[I-]
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| InChI |
InChI=1S/C16H20N2O2.HI/c1-4-16(19)17-9-7-12-8-10-18(2)15-6-5-13(20-3)11-14(12)15;/h5-6,8,10-11H,4,7,9H2,1-3H3;1H
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| InChIKey |
SRFZNBFGOXDJQS-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B