General Information of the Compound
| Compound ID |
CP0494676
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| Compound Name |
3,3-dimethylbutan-2-yl 8-methyl-2-[3-[methyl(pyridine-4-carbonyl)amino]propyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C25H34N4O4
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| Molecular Weight |
454.571
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| Canonical SMILES |
CC(OC(=O)c1cn2CCN(CCCN(C)C(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
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| InChI |
InChI=1S/C25H34N4O4/c1-17-20(24(32)33-18(2)25(3,4)5)16-29-15-14-28(23(31)21(17)29)13-7-12-27(6)22(30)19-8-10-26-11-9-19/h8-11,16,18H,7,12-15H2,1-6H3
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| InChIKey |
CMGKKBLOFXHBLI-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