General Information of the Compound
| Compound ID |
CP0416432
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| Compound Name |
ethyl 2-methyl-4-(1,3-oxazol-2-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
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| Structure |
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| Formula |
C17H16N4O3
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| Molecular Weight |
324.34
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| Canonical SMILES |
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1
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| InChI |
InChI=1S/C17H16N4O3/c1-3-23-16(22)13-10(2)19-17-20-11-6-4-5-7-12(11)21(17)14(13)15-18-8-9-24-15/h4-9,14H,3H2,1-2H3,(H,19,20)
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| InChIKey |
NRGKDXZOEMTKKR-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b