General Information of the Compound
| Compound ID |
CP0509239
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| Compound Name |
2-N-(4-bromo-2-methoxy-6-methylphenyl)-4-N-ethyl-3-methyl-4-N-propan-2-ylbenzimidazole-2,4-diamine;hydrochloride
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| Structure |
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| Formula |
C21H28BrClN4O
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| Molecular Weight |
467.839
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| Canonical SMILES |
Cl.CCN(C(C)C)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
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| InChI |
InChI=1S/C21H27BrN4O.ClH/c1-7-26(13(2)3)17-10-8-9-16-20(17)25(5)21(23-16)24-19-14(4)11-15(22)12-18(19)27-6;/h8-13H,7H2,1-6H3,(H,23,24);1H
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| InChIKey |
NXJFYKNEDGCLPZ-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