General Information of the Compound
| Compound ID |
CP0466666
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| Compound Name |
2-(1H-benzimidazol-2-ylmethyl)-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H16N4O
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| Molecular Weight |
340.386
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| Canonical SMILES |
C(c1nc2ccccc2[nH]1)c1nnc(Cc2cccc3ccccc23)o1
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| InChI |
InChI=1S/C21H16N4O/c1-2-9-16-14(6-1)7-5-8-15(16)12-20-24-25-21(26-20)13-19-22-17-10-3-4-11-18(17)23-19/h1-11H,12-13H2,(H,22,23)
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| InChIKey |
QTILXTTYIGTLDB-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
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay