General Information of the Compound
| Compound ID |
CP0445776
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| Compound Name |
N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide
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| Structure |
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| Formula |
C27H27N3O
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| Molecular Weight |
409.533
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| Canonical SMILES |
CC(=O)Nc1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(C)(C)C)nc2c1
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| InChI |
InChI=1S/C27H27N3O/c1-18(31)28-23-8-6-5-7-22(23)20-12-15-24-25(17-20)30-26(29-24)16-11-19-9-13-21(14-10-19)27(2,3)4/h5-17H,1-4H3,(H,28,31)(H,29,30)/b16-11+
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| InChIKey |
GEVKFYGTGFJHID-LFIBNONCSA-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