General Information of the Compound
| Compound ID |
CP0521748
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| Compound Name |
2-(bromomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C11H9BrN2O3
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| Molecular Weight |
297.108
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| Canonical SMILES |
BrCc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C11H9BrN2O3/c12-6-10-13-14-11(17-10)7-1-2-8-9(5-7)16-4-3-15-8/h1-2,5H,3-4,6H2
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| InChIKey |
JKETVJMGOFYZGC-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