General Information of the Compound
| Compound ID |
CP0527712
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| Compound Name |
3,3-dimethylbutan-2-yl 8-methyl-1-oxo-2-[3-(pyridine-4-carbonylamino)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C24H32N4O4
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| Molecular Weight |
440.544
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| Canonical SMILES |
CC(OC(=O)c1cn2CCN(CCCNC(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
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| InChI |
InChI=1S/C24H32N4O4/c1-16-19(23(31)32-17(2)24(3,4)5)15-28-14-13-27(22(30)20(16)28)12-6-9-26-21(29)18-7-10-25-11-8-18/h7-8,10-11,15,17H,6,9,12-14H2,1-5H3,(H,26,29)
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| InChIKey |
QSXPWEPXOLMPJS-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