General Information of the Compound
| Compound ID |
CP0880227
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| Compound Name |
3-[4-amino-6-(3,3-difluoro-piperidin-1-ylmethyl)-thieno[2,3-d]pyrimidin-2-yl]-benzonitrile
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| Structure |
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| Formula |
C19H17F2N5S
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| Molecular Weight |
385.443
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| Canonical SMILES |
N#Cc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1
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| InChI |
InChI=1S/C19H17F2N5S/c20-19(21)5-2-6-26(11-19)10-14-8-15-16(23)24-17(25-18(15)27-14)13-4-1-3-12(7-13)9-22/h1,3-4,7-8H,2,5-6,10-11H2,(H2,23,24,25)
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| InChIKey |
ZRNPRCBPMIHYCN-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