General Information of the Compound
| Compound ID |
CP0430858
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| Compound Name |
2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-methylthio[1,2,4]triazolo[1,5-a][1,3,5]triazine
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| Structure |
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| Formula |
C18H16N6O3S
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| Molecular Weight |
396.432
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C18H16N6O3S/c1-26-12-7-5-11(6-8-12)10-14(25)19-16-21-18(28-2)22-17-20-15(23-24(16)17)13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,19,20,21,22,23,25)
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| InChIKey |
HAHUTUCPPSBANJ-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