General Information of the Compound
| Compound ID |
CP0477182
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| Compound Name |
2-(furan-2-yl)-5-(methylamino)-N-(2-methyl-1-phenylpropan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
CNc1ncc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H22N6O2/c1-21(2,12-14-8-5-4-6-9-14)25-19(28)15-13-23-20(22-3)27-18(15)24-17(26-27)16-10-7-11-29-16/h4-11,13H,12H2,1-3H3,(H,22,23)(H,25,28)
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| InChIKey |
TXBGQFGPPFSMAO-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3