General Information of the Compound
| Compound ID |
CP0392607
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| Compound Name |
N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H31NO2
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| Molecular Weight |
377.528
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| Canonical SMILES |
O=C(NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1
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| InChI |
InChI=1S/C25H31NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,21-22H,4-5,7,10,12-13,15-18H2,(H,26,27)/t22-/m1/s1
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| InChIKey |
KNMYOOZOPHRKCN-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