General Information of the Compound
| Compound ID |
CP0422929
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| Compound Name |
9-ethyl-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C12H17N5O2
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| Molecular Weight |
263.301
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| Canonical SMILES |
CCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C12H17N5O2/c1-4-16-6-5-7-17-8-9(13-11(16)17)14(2)12(19)15(3)10(8)18/h4-7H2,1-3H3
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| InChIKey |
HZTIWJDUKCOJHN-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: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor