General Information of the Compound
| Compound ID |
CP0451279
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| Compound Name |
8-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
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| Structure |
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
COc1cccc2C[C@H](CCc12)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C21H25N5O3/c1-23-19-18(20(27)24(2)21(23)28)26-10-9-25(12-17(26)22-19)14-7-8-15-13(11-14)5-4-6-16(15)29-3/h4-6,14H,7-12H2,1-3H3/t14-/m0/s1
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| InChIKey |
DYAFWGMDXBEDQU-AWEZNQCLSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3