General Information of the Compound
| Compound ID |
CP0881303
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| Compound Name |
2-(3-chloro-phenyl)-6-morpholin-4-ylmethylthieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C17H17ClN4OS
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| Molecular Weight |
360.87
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| Canonical SMILES |
Nc1nc(-c2cccc(Cl)c2)nc2sc(CN3CCOCC3)cc12
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| InChI |
InChI=1S/C17H17ClN4OS/c18-12-3-1-2-11(8-12)16-20-15(19)14-9-13(24-17(14)21-16)10-22-4-6-23-7-5-22/h1-3,8-9H,4-7,10H2,(H2,19,20,21)
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| InChIKey |
JBHMYMIUMBHKCC-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