General Information of the Compound
| Compound ID |
CP0396622
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| Compound Name |
N-[5-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C22H17N5O2S2
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| Molecular Weight |
447.545
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| Canonical SMILES |
Cc1sc2nc(nc(N)c2c1C)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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| InChI |
InChI=1S/C22H17N5O2S2/c1-11-12(2)30-21-15(11)18(23)25-19(26-21)17-16(13-7-4-3-5-8-13)24-22(31-17)27-20(28)14-9-6-10-29-14/h3-10H,1-2H3,(H2,23,25,26)(H,24,27,28)
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| InChIKey |
BDBLPSCDXAOZCX-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3