General Information of the Compound
| Compound ID |
CP0494832
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| Compound Name |
N-[(3S)-1-[2-(4-phenylbutyl)-1-benzofuran-4-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C24H28N2O2
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| Molecular Weight |
376.5
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| Canonical SMILES |
CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1
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| InChIKey |
ZPTOWOYNLSHOIH-FQEVSTJZSA-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