General Information of the Compound
| Compound ID |
CP0458457
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| Compound Name |
N-[2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]benzamide
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| Structure |
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| Formula |
C28H31N3O2
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| Molecular Weight |
441.575
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2CCC(C)C)cc1
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| InChI |
InChI=1S/C28H31N3O2/c1-4-33-24-13-10-21(11-14-24)18-27-30-25-19-23(29-28(32)22-8-6-5-7-9-22)12-15-26(25)31(27)17-16-20(2)3/h5-15,19-20H,4,16-18H2,1-3H3,(H,29,32)
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| InChIKey |
FJNDZDSDPFGOPG-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