General Information of the Compound
| Compound ID |
CP0502847
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| Compound Name |
7-Diphenylacetylamino-2-(2-furyl)-5-phenoxy[1,2,4]-triazolo[1,5-a]-[1,3,5]triazine
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| Structure |
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| Formula |
C28H20N6O3
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| Molecular Weight |
488.507
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| Canonical SMILES |
O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H20N6O3/c35-25(23(19-11-4-1-5-12-19)20-13-6-2-7-14-20)30-27-32-28(37-21-15-8-3-9-16-21)31-26-29-24(33-34(26)27)22-17-10-18-36-22/h1-18,23H,(H,29,30,31,32,33,35)
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| InChIKey |
IXVJBXQKRKEKDC-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3