General Information of the Compound
| Compound ID |
CP0486386
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| Compound Name |
N-[2-[2-[2-(dimethylamino)ethoxy]-7-methoxynaphthalen-1-yl]ethyl]propanamide
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| Structure |
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| Formula |
C20H28N2O3
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| Molecular Weight |
344.455
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| Canonical SMILES |
CCC(=O)NCCc1c(OCCN(C)C)ccc2ccc(OC)cc12
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| InChI |
InChI=1S/C20H28N2O3/c1-5-20(23)21-11-10-17-18-14-16(24-4)8-6-15(18)7-9-19(17)25-13-12-22(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)
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| InChIKey |
WXAMYWVNNJTFDS-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