General Information of the Compound
| Compound ID |
CP0386027
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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-((5-methoxypyridin-2-yl)methyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H21N5O5S
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| Molecular Weight |
455.496
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| Canonical SMILES |
COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1
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| InChI |
InChI=1S/C21H21N5O5S/c1-25-18-10-17(24-19(18)20(27)26(2)21(25)28)13-4-8-16(9-5-13)32(29,30)23-11-14-6-7-15(31-3)12-22-14/h4-10,12,23-24H,11H2,1-3H3
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| InChIKey |
HCCJJWRLOLTJKG-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