General Information of the Compound
| Compound ID |
CP0549675
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| Compound Name |
2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
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| Formula |
C18H18BrN3
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| Molecular Weight |
356.267
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| Canonical SMILES |
Brc1ccc(CCN2CCn3c(C2)nc2ccccc32)cc1
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| InChI |
InChI=1S/C18H18BrN3/c19-15-7-5-14(6-8-15)9-10-21-11-12-22-17-4-2-1-3-16(17)20-18(22)13-21/h1-8H,9-13H2
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| InChIKey |
DFPTTYWYHUSWOX-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