General Information of the Compound
| Compound ID |
CP0387835
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| Compound Name |
[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-phenylcarbamate
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| Structure |
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| Formula |
C22H20N4O4
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| Molecular Weight |
404.426
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28)
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| InChIKey |
COBHXZIKLYWMLS-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3