General Information of the Compound
| Compound ID |
CP0192453
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| Compound Name |
But-3-enoic acid {2-[5-methoxy-2-(3-methoxy-benzyl)-benzofuran-3-yl]-ethyl}-amide
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)CC=C)c1
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| InChI |
InChI=1S/C23H25NO4/c1-4-6-23(25)24-12-11-19-20-15-18(27-3)9-10-21(20)28-22(19)14-16-7-5-8-17(13-16)26-2/h4-5,7-10,13,15H,1,6,11-12,14H2,2-3H3,(H,24,25)
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| InChIKey |
VBBQAIUYGLLDDE-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