General Information of the Compound
| Compound ID |
CP0409554
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| Compound Name |
3-methyl-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H31N5O4/c1-3-13-33-24-18-23(29-26(24)27(35)30(2)28(33)36)20-9-11-22(12-10-20)37-19-25(34)32-16-14-31(15-17-32)21-7-5-4-6-8-21/h4-12,18,29H,3,13-17,19H2,1-2H3
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| InChIKey |
PQIRGDHHYVPGOT-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b