General Information of the Compound
| Compound ID |
CP0892131
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| Compound Name |
(+/-)-N-[3-(3-methoxyphenyl)-3-phenylpropyl)butanamide
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| Structure |
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| Formula |
C20H25NO2
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| Molecular Weight |
311.425
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| Canonical SMILES |
CCCC(=O)NCCC(c1ccccc1)c1cccc(OC)c1
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| InChI |
InChI=1S/C20H25NO2/c1-3-8-20(22)21-14-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)23-2/h4-7,9-12,15,19H,3,8,13-14H2,1-2H3,(H,21,22)
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| InChIKey |
MNMQPNNPSHIDEI-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