General Information of the Compound
| Compound ID |
CP0511538
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| Compound Name |
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H14N2O3
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| Molecular Weight |
294.31
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| Canonical SMILES |
Cc1ccccc1-c1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C17H14N2O3/c1-11-4-2-3-5-13(11)17-19-18-16(22-17)12-6-7-14-15(10-12)21-9-8-20-14/h2-7,10H,8-9H2,1H3
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| InChIKey |
BJPSYXYPEVLQMU-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