General Information of the Compound
| Compound ID |
CP0898593
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| Compound Name |
6-(3,3-difluoro-piperidin-1-ylmethyl)-2-(3-methoxy-phenyl)-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C19H20F2N4OS
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| Molecular Weight |
390.459
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| Canonical SMILES |
COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1
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| InChI |
InChI=1S/C19H20F2N4OS/c1-26-13-5-2-4-12(8-13)17-23-16(22)15-9-14(27-18(15)24-17)10-25-7-3-6-19(20,21)11-25/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,22,23,24)
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| InChIKey |
IUBYJIUUGRQPSE-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