General Information of the Compound
| Compound ID |
CP0850770
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| Compound Name |
3-[4-amino-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-thieno[2,3-d]pyrimidin-2-yl]-benzonitrile
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| Structure |
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| Formula |
C19H17N5S
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| Molecular Weight |
347.447
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| Canonical SMILES |
N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1
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| InChI |
InChI=1S/C19H17N5S/c20-11-13-5-4-6-14(9-13)18-22-17(21)16-10-15(25-19(16)23-18)12-24-7-2-1-3-8-24/h1-2,4-6,9-10H,3,7-8,12H2,(H2,21,22,23)
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| InChIKey |
BIXBUGXIDIEPGI-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