General Information of the Compound
| Compound ID |
CP0392606
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| Compound Name |
2-methyl-N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]propanamide
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| Structure |
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| Formula |
C25H33NO2
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| Molecular Weight |
379.544
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| Canonical SMILES |
CC(C)C(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12
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| InChI |
InChI=1S/C25H33NO2/c1-19(2)25(27)26-17-9-14-21-13-8-16-24-23(21)18-22(28-24)15-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,13,16,19,22H,6-7,9,12,14-15,17-18H2,1-2H3,(H,26,27)/t22-/m1/s1
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| InChIKey |
BDZIORYHQPNRQW-JOCHJYFZSA-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