General Information of the Compound
| Compound ID |
CP0403957
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| Compound Name |
2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C17H15N5O3S2
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| Molecular Weight |
401.473
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| Canonical SMILES |
Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1
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| InChI |
InChI=1S/C17H15N5O3S2/c1-11-13(4-7-24-11)15-20-21-17(22(15)9-12-3-2-6-25-12)27-10-14(23)19-16-18-5-8-26-16/h2-8H,9-10H2,1H3,(H,18,19,23)
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| InChIKey |
AKOLLOOKOCBFDX-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