General Information of the Compound
| Compound ID |
CP0525976
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| Compound Name |
ethyl 4-[4-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]piperazin-1-yl]benzoate
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| Structure |
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| Formula |
C22H22N6O3S
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| Molecular Weight |
450.524
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1CCN(CC1)c1nc(N)c2nc(sc2n1)-c1ccco1
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| InChI |
InChI=1S/C22H22N6O3S/c1-2-30-21(29)14-5-7-15(8-6-14)27-9-11-28(12-10-27)22-25-18(23)17-20(26-22)32-19(24-17)16-4-3-13-31-16/h3-8,13H,2,9-12H2,1H3,(H2,23,25,26)
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| InChIKey |
KRHWODOVQMCRFB-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