General Information of the Compound
| Compound ID |
CP0447393
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| Compound Name |
(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)(thiazol-2-yl)methanone
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| Structure |
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| Formula |
C16H11N5OS2
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| Molecular Weight |
353.432
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| Canonical SMILES |
O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C16H11N5OS2/c22-13(15-18-5-7-24-15)12-14-11(3-6-23-14)20-16(21-12)19-9-10-2-1-4-17-8-10/h1-8H,9H2,(H,19,20,21)
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| InChIKey |
PVAKPKDWHXQJJQ-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