General Information of the Compound
| Compound ID |
CP0495076
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| Compound Name |
N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C26H31NO2
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| Molecular Weight |
389.539
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| Canonical SMILES |
O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1
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| InChI |
InChI=1S/C26H31NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,19-21,23H,4-5,9-10,13-17H2,(H,27,28)/t20-,21+,23+/m0/s1
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| InChIKey |
KPFJHULHRUZNEM-QZNHQXDQSA-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