General Information of the Compound
| Compound ID |
CP0382101
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| Compound Name |
8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propylxanthine
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| Structure |
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| Formula |
C16H19N5O5S
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| Molecular Weight |
393.425
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24)
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| InChIKey |
RIXZGEIPUNENPD-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