General Information of the Compound
| Compound ID |
CP0856394
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| Compound Name |
3-(4-amino-6-(((2S,6R)-2,6-dimethylmorpholino)methyl)thieno[2,3-d]pyrimidin-2-yl)benzonitrile
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| Structure |
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| Formula |
C20H21N5OS
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| Molecular Weight |
379.489
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| Canonical SMILES |
C[C@@H]1CN(Cc2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)C[C@H](C)O1
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| InChI |
InChI=1S/C20H21N5OS/c1-12-9-25(10-13(2)26-12)11-16-7-17-18(22)23-19(24-20(17)27-16)15-5-3-4-14(6-15)8-21/h3-7,12-13H,9-11H2,1-2H3,(H2,22,23,24)/t12-,13+
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| InChIKey |
GNNIDQWFVPVSBY-BETUJISGSA-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