General Information of the Compound
| Compound ID |
CP0421233
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| Compound Name |
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
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| Structure |
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| Formula |
C21H22N6O4
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| Molecular Weight |
422.445
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| Canonical SMILES |
COc1ccc(CCNC(=O)Cn2c(nc3ccccc23)-c2nonc2N)cc1OC
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| InChI |
InChI=1S/C21H22N6O4/c1-29-16-8-7-13(11-17(16)30-2)9-10-23-18(28)12-27-15-6-4-3-5-14(15)24-21(27)19-20(22)26-31-25-19/h3-8,11H,9-10,12H2,1-2H3,(H2,22,26)(H,23,28)
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| InChIKey |
BJPFAUBYKPJOIX-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