Fumiquinazoline

  • Formula: C24H21N5O4

  • Molecular weight: 443.50

  • Smiles: CC1C(=O)N2C(N1)C3(CC4C(=O)NC(O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72

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Fumiquinazoline

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Fumiquinazoline

  • First synonym: Fumiquinazoline

  • Synonyms: fumiquinazoline, CHEMBL479913

Identifiers / External links

Structure

  • Smiles: CC1C(=O)N2C(N1)C3(CC4C(=O)NC(O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72

  • Isomeric smiles: C[C@@H]1C(=O)N2[C@H](N1)[C@]3(C[C@@H]4C(=O)N[C@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72

  • Inchi: InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17-,22+,23-,24+/m1/s1

  • Inchikey: POEYRUBMWIOMTB-NYGOOMQSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H21N5O4

  • Molecular weight: 443.50

  • Monoisotopic mass: 443.15935417

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Fungi