General Information of the Compound
| Compound ID |
CP0378535
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| Compound Name |
9-(2-(1H-indol-3-yl)ethyl)-1,3-dipropyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C24H30N6O2
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| Molecular Weight |
434.544
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| Canonical SMILES |
CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C24H30N6O2/c1-3-11-29-21-20(22(31)30(12-4-2)24(29)32)28-14-7-13-27(23(28)26-21)15-10-17-16-25-19-9-6-5-8-18(17)19/h5-6,8-9,16,25H,3-4,7,10-15H2,1-2H3
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| InChIKey |
IYJWEWDJSIZCDN-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: PT01279, Adenosine receptor A3
Protein ID: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor