General Information of the Compound
| Compound ID |
CP0440061
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| Compound Name |
[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C17H17N5OS
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| Molecular Weight |
339.424
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| Canonical SMILES |
O=C(N1CCCC1)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)
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| InChIKey |
FSGMCDGLBHIDGU-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b