General Information of the Compound
| Compound ID |
CP0515831
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| Compound Name |
1-(benzofuran-2-yl(4-ethylphenyl)methyl)-1H-1,2,4-triazole
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| Structure |
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| Formula |
C19H17N3O
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| Molecular Weight |
303.365
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| Canonical SMILES |
CCc1ccc(cc1)C(c1cc2ccccc2o1)n1cncn1
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| InChI |
InChI=1S/C19H17N3O/c1-2-14-7-9-15(10-8-14)19(22-13-20-12-21-22)18-11-16-5-3-4-6-17(16)23-18/h3-13,19H,2H2,1H3
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| InChIKey |
ADSIUFOUUHJJTI-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