General Information of the Compound
| Compound ID |
CP0494677
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| Compound Name |
3,3-dimethylbutan-2-yl 2-[3-(ethylcarbamoylamino)propyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C21H34N4O4
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| Molecular Weight |
406.527
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| Canonical SMILES |
CCNC(=O)NCCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
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| InChI |
InChI=1S/C21H34N4O4/c1-7-22-20(28)23-9-8-10-24-11-12-25-13-16(14(2)17(25)18(24)26)19(27)29-15(3)21(4,5)6/h13,15H,7-12H2,1-6H3,(H2,22,23,28)
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| InChIKey |
YBCQLZSZBXSRIC-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