General Information of the Compound
| Compound ID |
CP0395378
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| Compound Name |
8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine
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| Structure |
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| Formula |
C20H19N5O4S
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| Molecular Weight |
425.47
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27)
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| InChIKey |
KCUXCRYAOFJTTI-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