General Information of the Compound
| Compound ID |
CP0510605
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| Compound Name |
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-methoxyphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H26N4O5
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| Molecular Weight |
474.517
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| Canonical SMILES |
COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C26H26N4O5/c1-28-21-13-20(27-24(21)25(32)29(2)26(28)33)19-9-8-18(12-22(19)34-3)35-15-23(31)30-11-10-16-6-4-5-7-17(16)14-30/h4-9,12-13,27H,10-11,14-15H2,1-3H3
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| InChIKey |
JQQMPNPMWAEDPY-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