General Information of the Compound
| Compound ID |
CP0340022
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| Compound Name |
4-[4-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]piperazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C19H19N7O3S2
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| Molecular Weight |
457.541
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCN(CC1)c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H19N7O3S2/c20-16-15-18(30-17(22-15)14-2-1-11-29-14)24-19(23-16)26-9-7-25(8-10-26)12-3-5-13(6-4-12)31(21,27)28/h1-6,11H,7-10H2,(H2,20,23,24)(H2,21,27,28)
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| InChIKey |
UKAIQCQVGWACLI-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