PDB CCD ID: | 09S | ||||||
Number of entries in BioLiP: | 40 | ||||||
Chemical formula: | C12 H18 Br N3 O | ||||||
InChI: | InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3 | ||||||
InChIKey: | UGNNTIXQGYYUAP-UHFFFAOYSA-N | ||||||
SMILES: |
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Name: | 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane | ||||||
ChEMBL: | CHEMBL72433 | ||||||
ZINC: | ZINC000013703975 |