General Information of the Compound
| Compound ID |
CP0454844
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| Compound Name |
2-(1H-benzimidazol-2-ylmethyl)-5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C18H16N4O3
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| Molecular Weight |
336.351
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| Canonical SMILES |
COc1cccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1OC
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| InChI |
InChI=1S/C18H16N4O3/c1-23-14-9-5-6-11(17(14)24-2)18-22-21-16(25-18)10-15-19-12-7-3-4-8-13(12)20-15/h3-9H,10H2,1-2H3,(H,19,20)
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| InChIKey |
PRHCQSIFZOASTC-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