General Information of the Compound
| Compound ID |
CP0860171
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| Compound Name |
6-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)-2-(isoxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H21N5OS
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| Molecular Weight |
343.456
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| Canonical SMILES |
C[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1
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| InChI |
InChI=1S/C17H21N5OS/c1-10-4-3-5-11(2)22(10)9-12-8-13-15(18)19-16(20-17(13)24-12)14-6-7-23-21-14/h6-8,10-11H,3-5,9H2,1-2H3,(H2,18,19,20)/t10-,11+
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| InChIKey |
FZSKZZJPMPFQAW-PHIMTYICSA-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