General Information of the Compound
| Compound ID |
CP0446607
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| Compound Name |
4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H25N5O4S
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| Molecular Weight |
467.551
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCc1ccccc1
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| InChI |
InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)19-21(26-23(28)30)25-20(24-19)17-9-11-18(12-10-17)33(31,32)27(2)15-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,24,25)(H,26,30)
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| InChIKey |
BCZCSNHEMUCEIF-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