EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H16Cl2N4O3 |
| Net Charge | 0 |
| Average Mass | 455.301 |
| Monoisotopic Mass | 454.05995 |
| SMILES | O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 |
| InChI | InChI=1S/C22H16Cl2N4O3/c23-12-3-7-14(8-4-12)26-20(29)19-18-17(16-2-1-11-25-28(16)19)21(30)27(22(18)31)15-9-5-13(24)6-10-15/h1-11,16-19H,(H,26,29)/t16-,17-,18-,19+/m1/s1 |
| InChIKey | KZEUTKQNAREPMT-MKXGPGLRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide (CHEBI:108356) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19732 | LINCS |