General Information of the Compound
| Compound ID |
CP0391512
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| Compound Name |
2-(furan-2-yl)-5-(methylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C19H15F3N6O2
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| Molecular Weight |
416.363
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| Canonical SMILES |
CNc1ncc(C(=O)NCc2ccc(cc2)C(F)(F)F)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H15F3N6O2/c1-23-18-25-10-13(16-26-15(27-28(16)18)14-3-2-8-30-14)17(29)24-9-11-4-6-12(7-5-11)19(20,21)22/h2-8,10H,9H2,1H3,(H,23,25)(H,24,29)
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| InChIKey |
HATKLAXIQZSKPC-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