General Information of the Compound
| Compound ID |
CP0467098
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| Compound Name |
6-benzyl-2-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H14F3N3S
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| Molecular Weight |
385.414
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| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F3N3S/c21-20(22,23)14-8-4-7-13(10-14)18-25-17(24)16-11-15(27-19(16)26-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H2,24,25,26)
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| InChIKey |
PKRVBBALEJXYBE-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