General Information of the Compound
| Compound ID |
CP0463076
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| Compound Name |
[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-naphthalen-1-ylmethanone
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| Structure |
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| Formula |
C23H20N8O2
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| Molecular Weight |
440.467
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C23H20N8O2/c24-21-26-22(27-23-25-19(28-31(21)23)18-9-4-14-33-18)30-12-10-29(11-13-30)20(32)17-8-3-6-15-5-1-2-7-16(15)17/h1-9,14H,10-13H2,(H2,24,25,26,27,28)
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| InChIKey |
NZNUKYLLFGRLFO-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