General Information of the Compound
| Compound ID |
CP0497575
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| Compound Name |
6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H13F2N3OS
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| Molecular Weight |
357.385
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| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccc(o1)C(F)F
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| InChI |
InChI=1S/C18H13F2N3OS/c19-15(20)13-6-7-14(24-13)17-22-16(21)12-9-11(25-18(12)23-17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H2,21,22,23)
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| InChIKey |
AURLHFYBUXKXRM-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