General Information of the Compound
| Compound ID |
CP0439816
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| Compound Name |
Acetamidopyrazine, 16
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| Structure |
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| Formula |
C23H25N5O5
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| Molecular Weight |
451.483
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| Canonical SMILES |
COc1cc(Nc2nc(cnc2NC(C)=O)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30)
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| InChIKey |
FOLDYQZDOCDFHZ-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