General Information of the Compound
| Compound ID |
CP0907712
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| Compound Name |
{2-[7-Methoxy-1-(2-propionylamino-ethyl)-naphthalen-2-yloxy]-ethyl}-trimethyl-ammonium iodide
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| Structure |
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| Formula |
C21H31IN2O3
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| Molecular Weight |
486.394
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| Canonical SMILES |
CCC(=O)NCCc1c(OCC[N+](C)(C)C)ccc2ccc(OC)cc12.[I-]
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| InChI |
InChI=1S/C21H30N2O3.HI/c1-6-21(24)22-12-11-18-19-15-17(25-5)9-7-16(19)8-10-20(18)26-14-13-23(2,3)4;/h7-10,15H,6,11-14H2,1-5H3;1H
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| InChIKey |
RCPHWESDEGYMSQ-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