General Information of the Compound
| Compound ID |
CP0410876
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| Compound Name |
10-[(2-methoxyphenyl)methyl]-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-7-6-10-23(18(24)20-16)12-13-8-4-5-9-14(13)27-3/h4-5,8-9H,6-7,10-12H2,1-3H3
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| InChIKey |
UVYKOOHROQURMP-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
Protein ID: PT01279, Adenosine receptor A3