General Information of the Compound
| Compound ID |
CP0181199
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)-5-nitrobenzimidazole
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| Structure |
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| Formula |
C21H25N3O3
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| Molecular Weight |
367.449
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C21H25N3O3/c1-4-27-18-8-5-16(6-9-18)13-21-22-19-14-17(24(25)26)7-10-20(19)23(21)12-11-15(2)3/h5-10,14-15H,4,11-13H2,1-3H3
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| InChIKey |
CCFZFGYTYAHOAN-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