General Information of the Compound
| Compound ID |
CP0337085
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| Compound Name |
2,6-Disubstituted Pyrazine, 77
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| Structure |
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| Formula |
C25H19N5O3
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| Molecular Weight |
437.459
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| Canonical SMILES |
CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(c4)-c4cnco4)n3)cccc12
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| InChI |
InChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
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| InChIKey |
IAHKIERABNTWLV-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