General Information of the Compound
| Compound ID |
CP0379534
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| Compound Name |
3,3-dimethylbutan-2-yl 2-[3-(1,3-dioxoisoindol-2-yl)propyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
CC(OC(=O)c1cn2CCN(CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1C)C(C)(C)C
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| InChI |
InChI=1S/C26H31N3O5/c1-16-20(25(33)34-17(2)26(3,4)5)15-28-14-13-27(24(32)21(16)28)11-8-12-29-22(30)18-9-6-7-10-19(18)23(29)31/h6-7,9-10,15,17H,8,11-14H2,1-5H3
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| InChIKey |
ROMSHOSVARFTHC-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