General Information of the Compound
| Compound ID |
CP0489664
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| Compound Name |
N-(3-acetylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C22H20N4O4S
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| Molecular Weight |
436.493
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1
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| InChI |
InChI=1S/C22H20N4O4S/c1-14(27)16-5-3-6-17(11-16)23-20(28)13-31-22-25-24-21(19-8-10-29-15(19)2)26(22)12-18-7-4-9-30-18/h3-11H,12-13H2,1-2H3,(H,23,28)
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| InChIKey |
PCAHIOPGTKCNLT-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1