| PDB CCD ID: | X5Z |
| Number of entries in BioLiP: | 20 |
| Chemical formula: | C15 H23 Co N8 O4 |
| InChI: | InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;2*1-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;2*7-8H,1-2H3;;/q;2*-2;+6;-1/b;2*4-3-;; |
| InChIKey: | KKXSWROVWVQWSY-GLPMUSQESA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C=Cc1cc[n+](cc1)[Co]12(\N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O | | CACTVS 3.385 | CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3 | | OpenEye OEToolkits 2.0.7 | CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C |
|
| Name: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT |
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