General Information of the Compound
| Compound ID |
CP0457812
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| Compound Name |
1-[2-(4-bromophenyl)ethyl]-3-methylbenzimidazol-2-imine
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| Structure |
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| Formula |
C16H16BrN3
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| Molecular Weight |
330.229
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| Canonical SMILES |
Cn1c2ccccc2n(CCc2ccc(Br)cc2)c1=N
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| InChI |
InChI=1S/C16H16BrN3/c1-19-14-4-2-3-5-15(14)20(16(19)18)11-10-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3
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| InChIKey |
BIOVKGNXRGRGDK-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