General Information of the Compound
| Compound ID |
CP0478559
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| Compound Name |
2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C16H10Cl2N4O
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| Molecular Weight |
345.189
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| Canonical SMILES |
Clc1ccc2nc(Cc3nnc(o3)-c3ccccc3Cl)[nH]c2c1
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| InChI |
InChI=1S/C16H10Cl2N4O/c17-9-5-6-12-13(7-9)20-14(19-12)8-15-21-22-16(23-15)10-3-1-2-4-11(10)18/h1-7H,8H2,(H,19,20)
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| InChIKey |
YCOVCAZFTSJSEX-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