General Information of the Compound
| Compound ID |
CP0445512
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| Compound Name |
3,3-dimethylbutan-2-yl 8-methyl-1-oxo-2-propyl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C18H28N2O3
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| Molecular Weight |
320.433
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| Canonical SMILES |
CCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
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| InChI |
InChI=1S/C18H28N2O3/c1-7-8-19-9-10-20-11-14(12(2)15(20)16(19)21)17(22)23-13(3)18(4,5)6/h11,13H,7-10H2,1-6H3
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| InChIKey |
GKRIBFAJDAFJCM-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