General Information of the Compound
| Compound ID |
CP0510834
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| Compound Name |
7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,2,4]-triazolo[1,5-a]-[1,3,5]triazine
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| Structure |
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| Formula |
C23H18N6O2S
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| Molecular Weight |
442.504
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| Canonical SMILES |
CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C23H18N6O2S/c1-32-23-26-21-24-19(17-13-8-14-31-17)28-29(21)22(27-23)25-20(30)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3,(H,24,25,26,27,28,30)
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| InChIKey |
YBQYCFLVEKFGGT-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