General Information of the Compound
| Compound ID |
CP0472319
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| Compound Name |
4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]ethyl]piperazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H24N8O3S2
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| Molecular Weight |
500.61
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| Canonical SMILES |
Nc1nc(NCCN2CCN(CC2)c2ccc(cc2)S(N)(=O)=O)nc2sc(nc12)-c1ccco1
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| InChI |
InChI=1S/C21H24N8O3S2/c22-18-17-20(33-19(25-17)16-2-1-13-32-16)27-21(26-18)24-7-8-28-9-11-29(12-10-28)14-3-5-15(6-4-14)34(23,30)31/h1-6,13H,7-12H2,(H2,23,30,31)(H3,22,24,26,27)
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| InChIKey |
DBSSNIVKOMKZGN-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