General Information of the Compound
| Compound ID |
CP0395376
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| Compound Name |
8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dimethylxanthine
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| Structure |
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| Formula |
C15H17N5O5S
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| Molecular Weight |
379.398
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)
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| InChIKey |
VNXFJFCNDLPYDS-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3