General Information of the Compound
| Compound ID |
CP0222311
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| Compound Name |
1,2-Di-pyridin-2-yl-ethane-1,2-dione
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| Structure |
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| Formula |
C12H8N2O2
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| Molecular Weight |
212.208
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| Canonical SMILES |
O=C(C(=O)c1ccccn1)c1ccccn1
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| InChI |
InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
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| InChIKey |
PIINXYKJQGMIOZ-UHFFFAOYSA-N
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| CAS |
492-73-9
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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