General Information of the Compound
| Compound ID |
CP0462425
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| Compound Name |
1-(4-bromophenyl)-4-(2-imino-3-methylbenzimidazol-1-yl)butan-1-one
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| Structure |
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| Formula |
C18H18BrN3O
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| Molecular Weight |
372.266
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| Canonical SMILES |
Cn1c2ccccc2n(CCCC(=O)c2ccc(Br)cc2)c1=N
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| InChI |
InChI=1S/C18H18BrN3O/c1-21-15-5-2-3-6-16(15)22(18(21)20)12-4-7-17(23)13-8-10-14(19)11-9-13/h2-3,5-6,8-11,20H,4,7,12H2,1H3
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| InChIKey |
KUPOTQXKYNBGIL-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