General Information of the Compound
| Compound ID |
CP0412427
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| Compound Name |
1,3-dimethyl-6-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C21H25N5O4
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| Molecular Weight |
411.462
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| Canonical SMILES |
CN1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C21H25N5O4/c1-23-8-10-26(11-9-23)18(27)13-30-15-6-4-14(5-7-15)16-12-17-19(22-16)20(28)25(3)21(29)24(17)2/h4-7,12,22H,8-11,13H2,1-3H3
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| InChIKey |
JXHZOGRCMMGJHI-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