General Information of the Compound
| Compound ID |
CP0849547
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| Compound Name |
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C21H20N4OS
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| Molecular Weight |
376.485
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| Canonical SMILES |
Cc1ccc(-c2nc(N)c3cc(CN4CCc5ccccc5C4)sc3n2)o1
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| InChI |
InChI=1S/C21H20N4OS/c1-13-6-7-18(26-13)20-23-19(22)17-10-16(27-21(17)24-20)12-25-9-8-14-4-2-3-5-15(14)11-25/h2-7,10H,8-9,11-12H2,1H3,(H2,22,23,24)
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| InChIKey |
JQPWKEHWBDMVSV-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