General Information of the Compound
| Compound ID |
CP0525979
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| Compound Name |
2-[4-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]piperidin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
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| Structure |
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| Formula |
C24H28N8O4S2
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| Molecular Weight |
556.674
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| Canonical SMILES |
Nc1nc(NCC2CCN(CC(=O)NCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1
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| InChI |
InChI=1S/C24H28N8O4S2/c25-21-20-23(37-22(29-20)18-2-1-11-36-18)31-24(30-21)28-13-16-7-9-32(10-8-16)14-19(33)27-12-15-3-5-17(6-4-15)38(26,34)35/h1-6,11,16H,7-10,12-14H2,(H,27,33)(H2,26,34,35)(H3,25,28,30,31)
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| InChIKey |
WICPQPFMJZZNCE-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