General Information of the Compound
| Compound ID |
CP0522130
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| Compound Name |
N-butan-2-yl-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 |
C18H22N4O3S
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| Molecular Weight |
374.466
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| Canonical SMILES |
CCC(C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1
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| InChI |
InChI=1S/C18H22N4O3S/c1-4-12(2)19-16(23)11-26-18-21-20-17(15-7-9-24-13(15)3)22(18)10-14-6-5-8-25-14/h5-9,12H,4,10-11H2,1-3H3,(H,19,23)
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| InChIKey |
KGPPTMBYDJRVJE-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