General Information of the Compound
| Compound ID |
CP0403756
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| Compound Name |
8-[4-(butylamidosulfonyl)phenyl]-1,3-dimethylxanthine
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| Structure |
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| Formula |
C17H21N5O4S
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| Molecular Weight |
391.453
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| Canonical SMILES |
CCCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C17H21N5O4S/c1-4-5-10-18-27(25,26)12-8-6-11(7-9-12)14-19-13-15(20-14)21(2)17(24)22(3)16(13)23/h6-9,18H,4-5,10H2,1-3H3,(H,19,20)
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| InChIKey |
GBSVVHYIGKSKJG-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