General Information of the Compound
| Compound ID |
CP0498369
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| Compound Name |
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C26H27N3O4/c1-4-31-22-15-18(16-23(32-5-2)24(22)33-6-3)26(30)27-19-11-9-10-17(14-19)25-28-20-12-7-8-13-21(20)29-25/h7-16H,4-6H2,1-3H3,(H,27,30)(H,28,29)
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| InChIKey |
ZHGPVKTVDZWQER-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