General Information of the Compound
| Compound ID |
CP0435411
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| Compound Name |
1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-propyl}-urea
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| Structure |
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| Formula |
C24H30N2O2
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| Molecular Weight |
378.516
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| Canonical SMILES |
CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C24H30N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)
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| InChIKey |
JRWLPMZKOAKSJV-UHFFFAOYSA-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