General Information of the Compound
| Compound ID |
CP0454837
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| Compound Name |
2-(1H-benzimidazol-2-ylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H14N4O2
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| Molecular Weight |
306.325
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(Cc2nc3ccccc3[nH]2)o1
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| InChI |
InChI=1S/C17H14N4O2/c1-2-6-12(7-3-1)22-11-17-21-20-16(23-17)10-15-18-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,18,19)
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| InChIKey |
GLNRSAJLZFLIFA-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