General Information of the Compound
| Compound ID |
CP0849430
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| Compound Name |
N-{2-[(3-benzyl)phenyl]ethyl}propanamide
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| Structure |
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| Formula |
C18H21NO
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| Molecular Weight |
267.372
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| Canonical SMILES |
CCC(=O)NCCc1cccc(Cc2ccccc2)c1
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| InChI |
InChI=1S/C18H21NO/c1-2-18(20)19-12-11-16-9-6-10-17(14-16)13-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,19,20)
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| InChIKey |
LYFVZZBFUOXIGL-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