General Information of the Compound
| Compound ID |
CP0378957
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| Compound Name |
6-benzyl-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 |
C17H14N4S2
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| Molecular Weight |
338.461
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| Canonical SMILES |
Cc1csc(n1)-c1nc(N)c2cc(Cc3ccccc3)sc2n1
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| InChI |
InChI=1S/C17H14N4S2/c1-10-9-22-17(19-10)15-20-14(18)13-8-12(23-16(13)21-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,18,20,21)
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| InChIKey |
CGLAAXXKQBXPQP-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