General Information of the Compound
| Compound ID |
CP0498601
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| Compound Name |
6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H13FN4S2
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| Molecular Weight |
356.451
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| Canonical SMILES |
Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1
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| InChI |
InChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22)
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| InChIKey |
DFNCCBYZMPHKDD-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