General Information of the Compound
| Compound ID |
CP0477491
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| Compound Name |
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
COc1cc(CCCNC(C)=O)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C19H23NO3/c1-15(21)20-12-6-9-16-10-11-18(19(13-16)22-2)23-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)
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| InChIKey |
CKTYNRYIIZDJHS-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