General Information of the Compound
| Compound ID |
CP0495073
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| Compound Name |
N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]propanamide
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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 |
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12
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| InChI |
InChI=1S/C25H31NO2/c1-2-25(27)26-17-19-15-22(19)21-13-8-14-24-23(21)16-20(28-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,22H,2,6-7,11-12,15-17H2,1H3,(H,26,27)/t19-,20+,22+/m0/s1
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| InChIKey |
KOBUIYZJBAMBFA-TUNNFDKTSA-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