General Information of the Compound
| Compound ID |
CP0445511
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| Compound Name |
3,3-dimethylbutan-2-yl 2-benzyl-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(OC(=O)c1cn2CCN(Cc3ccccc3)C(=O)c2c1C)C(C)(C)C
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| InChI |
InChI=1S/C22H28N2O3/c1-15-18(21(26)27-16(2)22(3,4)5)14-23-11-12-24(20(25)19(15)23)13-17-9-7-6-8-10-17/h6-10,14,16H,11-13H2,1-5H3
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| InChIKey |
JQDCGBZGFDCDFI-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