General Information of the Compound
| Compound ID |
CP0422933
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| Compound Name |
9-(3,4-dimethoxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C20H25N5O4
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| Molecular Weight |
399.451
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| Canonical SMILES |
COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
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| InChI |
InChI=1S/C20H25N5O4/c1-22-17-16(18(26)23(2)20(22)27)25-10-5-9-24(19(25)21-17)11-8-13-6-7-14(28-3)15(12-13)29-4/h6-7,12H,5,8-11H2,1-4H3
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| InChIKey |
NVPCMICHUTXKJC-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