General Information of the Compound
| Compound ID |
CP0395528
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| Compound Name |
1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-dichloroethanone
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| Structure |
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| Formula |
C14H14Cl2N8O2
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| Molecular Weight |
397.226
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(Cl)Cl
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| InChI |
InChI=1S/C14H14Cl2N8O2/c15-9(16)11(25)22-3-5-23(6-4-22)13-19-12(17)24-14(20-13)18-10(21-24)8-2-1-7-26-8/h1-2,7,9H,3-6H2,(H2,17,18,19,20,21)
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| InChIKey |
IOYSJINOLNGHNE-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
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b