General Information of the Compound
| Compound ID |
CP0285250
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| Compound Name |
2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-ylamino)-6-(3-acetamidophenyl)pyrazine
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCCOc3c2)n1
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| InChI |
InChI=1S/C21H20N4O3/c1-14(26)23-16-5-2-4-15(10-16)18-12-22-13-21(25-18)24-17-6-7-19-20(11-17)28-9-3-8-27-19/h2,4-7,10-13H,3,8-9H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
SNZNFJNCSRVWJV-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