General Information of the Compound
Compound ID |
CP0448730
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Compound Name |
3,3-dimethylbutan-2-yl 2-(2-fluoroethyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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Structure |
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Formula |
C17H25FN2O3
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Molecular Weight |
324.396
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Canonical SMILES |
CC(OC(=O)c1cn2CCN(CCF)C(=O)c2c1C)C(C)(C)C
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InChI |
InChI=1S/C17H25FN2O3/c1-11-13(16(22)23-12(2)17(3,4)5)10-20-9-8-19(7-6-18)15(21)14(11)20/h10,12H,6-9H2,1-5H3
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InChIKey |
QQMCDDWJVZYAPB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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