General Information of the Compound
| Compound ID |
CP0373202
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| Compound Name |
1,3-dimethyl-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H27N5O4
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| Molecular Weight |
473.533
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H27N5O4/c1-28-22-16-21(27-24(22)25(33)29(2)26(28)34)18-8-10-20(11-9-18)35-17-23(32)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16,27H,12-15,17H2,1-2H3
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| InChIKey |
YFOHBZPJQXLDMO-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