General Information of the Compound
| Compound ID |
CP0508102
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| Compound Name |
2-(furan-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
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| Structure |
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| Formula |
C18H12F3N5O3
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| Molecular Weight |
403.32
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| Canonical SMILES |
OC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C18H12F3N5O3/c19-18(20,21)11-5-3-10(4-6-11)8-22-17-23-9-12(16(27)28)15-24-14(25-26(15)17)13-2-1-7-29-13/h1-7,9H,8H2,(H,22,23)(H,27,28)
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| InChIKey |
BWADQIPIUTYRQG-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