General Information of the Compound
| Compound ID |
CP0394074
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| Compound Name |
4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(6-methoxypyridin-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H19N5O5S
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| Molecular Weight |
441.469
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1
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| InChI |
InChI=1S/C20H19N5O5S/c1-24-16-10-15(22-18(16)19(26)25(2)20(24)27)12-4-7-14(8-5-12)31(28,29)23-13-6-9-17(30-3)21-11-13/h4-11,22-23H,1-3H3
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| InChIKey |
FIYWVLDBOIJBSP-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3