General Information of the Compound
| Compound ID |
CP0856398
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| Compound Name |
3-(4-amino-6-thiomorpholin-4-ylmethyl-thieno-[2,3-d]pyrimidin-2-yl)-benzonitrile
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| Structure |
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| Formula |
C18H17N5S2
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| Molecular Weight |
367.503
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| Canonical SMILES |
N#Cc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1
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| InChI |
InChI=1S/C18H17N5S2/c19-10-12-2-1-3-13(8-12)17-21-16(20)15-9-14(25-18(15)22-17)11-23-4-6-24-7-5-23/h1-3,8-9H,4-7,11H2,(H2,20,21,22)
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| InChIKey |
YCHMESNXFSLLRN-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