General Information of the Compound
| Compound ID |
CP0442386
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| Compound Name |
3,3-dimethylbutan-2-yl 2-(2-methoxyethyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C18H28N2O4
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| Molecular Weight |
336.432
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| Canonical SMILES |
COCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
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| InChI |
InChI=1S/C18H28N2O4/c1-12-14(17(22)24-13(2)18(3,4)5)11-20-8-7-19(9-10-23-6)16(21)15(12)20/h11,13H,7-10H2,1-6H3
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| InChIKey |
PTOXHVBQNRVWOV-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