General Information of the Compound
| Compound ID |
CP0493788
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| Compound Name |
N-(4-chlorophenyl)-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 |
C20H17ClN4O3S
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| Molecular Weight |
428.901
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| Canonical SMILES |
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccco1
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| InChI |
InChI=1S/C20H17ClN4O3S/c1-13-17(8-10-27-13)19-23-24-20(25(19)11-16-3-2-9-28-16)29-12-18(26)22-15-6-4-14(21)5-7-15/h2-10H,11-12H2,1H3,(H,22,26)
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| InChIKey |
IJFZUVMDXGSVKZ-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