General Information of the Compound
| Compound ID |
CP0569619
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| Compound Name |
6-bromo-2-[(6-chloropyridin-3-yl)methyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
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| Structure |
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| Formula |
C16H12BrClN4O
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| Molecular Weight |
391.656
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| Canonical SMILES |
Clc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cn1
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| InChI |
InChI=1S/C16H12BrClN4O/c17-11-2-1-3-12-14(11)22-7-6-21(16(23)15(22)20-12)9-10-4-5-13(18)19-8-10/h1-5,8H,6-7,9H2
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| InChIKey |
VWSGTBDFTPWQRK-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