General Information of the Compound
| Compound ID |
CP0566148
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| Compound Name |
2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)cc2C1
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| InChI |
InChI=1S/C22H21N5O3/c1-15(28)27-9-6-16-2-4-19(10-18(16)13-27)30-14-22(29)26-21-5-3-17(11-25-21)20-12-23-7-8-24-20/h2-5,7-8,10-12H,6,9,13-14H2,1H3,(H,25,26,29)
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| InChIKey |
NYBVWXCUMDDIPH-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