General Information of the Compound
| Compound ID |
CP0578259
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| Compound Name |
6-bromo-2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
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| Structure |
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| Formula |
C17H12BrClFN3O
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| Molecular Weight |
408.658
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
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| InChI |
InChI=1S/C17H12BrClFN3O/c18-12-2-1-3-14-15(12)23-7-6-22(17(24)16(23)21-14)9-10-4-5-11(19)8-13(10)20/h1-5,8H,6-7,9H2
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| InChIKey |
APVCUKKQQJRKKW-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