General Information of the Compound
| Compound ID |
CP0430667
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| Compound Name |
N-[3-[5-methoxy-2-(2-phenylethoxy)phenyl]propyl]acetamide
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
COc1ccc(OCCc2ccccc2)c(CCCNC(C)=O)c1
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| InChI |
InChI=1S/C20H25NO3/c1-16(22)21-13-6-9-18-15-19(23-2)10-11-20(18)24-14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,21,22)
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| InChIKey |
UCADQOYFJAOPEB-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