General Information of the Compound
| Compound ID |
CP0440060
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| Compound Name |
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
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| Structure |
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| Formula |
C16H17N5OS
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| Molecular Weight |
327.413
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| Canonical SMILES |
CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
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| InChIKey |
CDUCLUZYLNLKKW-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