General Information of the Compound
| Compound ID |
CP0467093
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| Compound Name |
6-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H14FN3OS
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| Molecular Weight |
339.395
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1
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| InChI |
InChI=1S/C18H14FN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22)
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| InChIKey |
SIHPOFYQCVJROB-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