General Information of the Compound
| Compound ID |
CP0520589
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| Compound Name |
methyl 2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxylate
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| Structure |
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)OC)cc1
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| InChI |
InChI=1S/C23H28N2O3/c1-5-28-19-9-6-17(7-10-19)14-22-24-20-15-18(23(26)27-4)8-11-21(20)25(22)13-12-16(2)3/h6-11,15-16H,5,12-14H2,1-4H3
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| InChIKey |
IXVJUXFJJGHWCY-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