General Information of the Compound
| Compound ID |
CP0435113
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| Compound Name |
N-[2-[3-[3-(dimethylamino)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)N(C)C
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| InChI |
InChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)
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| InChIKey |
YRYMDLWIIIPERP-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