General Information of the Compound
| Compound ID |
CP0403958
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| Compound Name |
2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
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| Structure |
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| Formula |
C17H16N6O3S2
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| Molecular Weight |
416.488
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| Canonical SMILES |
Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)s1
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| InChI |
InChI=1S/C17H16N6O3S2/c1-10-13(5-7-25-10)15-20-22-17(23(15)8-12-4-3-6-26-12)27-9-14(24)18-16-21-19-11(2)28-16/h3-7H,8-9H2,1-2H3,(H,18,21,24)
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| InChIKey |
WNQZKVLRHXZGPW-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