General Information of the Compound
| Compound ID |
CP0385545
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| Compound Name |
6-[4-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-methoxyphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H20BrN5O5
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| Molecular Weight |
538.358
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| Canonical SMILES |
COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C24H20BrN5O5/c1-29-18-11-17(26-21(18)23(31)30(2)24(29)32)16-9-8-15(10-19(16)33-3)34-12-20-27-22(28-35-20)13-4-6-14(25)7-5-13/h4-11,26H,12H2,1-3H3
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| InChIKey |
QRQUDLPTEVGJQX-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