General Information of the Compound
| Compound ID |
CP0428857
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| Compound Name |
2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,4]-triazolo[1,5-a]-[1,3,5]triazine
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| Structure |
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| Formula |
C20H20N6O3
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| Molecular Weight |
392.419
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| Canonical SMILES |
CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C20H20N6O3/c1-2-3-5-12-16(27)21-18-23-20(29-14-9-6-4-7-10-14)24-19-22-17(25-26(18)19)15-11-8-13-28-15/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,22,23,24,25,27)
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| InChIKey |
VBPFFNMUFRTXON-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