(E)-1-(2,3-dihydro-6-fluoro-4H-1-benzoselenin-4-one)-4-(2,5-dimethoxyphenyl)thiosemicarbazone

ID: ALA4457834

Chembl Id: CHEMBL4457834

PubChem CID: 155526056

Max Phase: Preclinical

Molecular Formula: C18H18FN3O2SSe

Molecular Weight: 438.39

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(OC)c(NC(=S)N/N=C2\CC[Se]c3ccc(F)cc32)c1

Standard InChI:  InChI=1S/C18H18FN3O2SSe/c1-23-12-4-5-16(24-2)15(10-12)20-18(25)22-21-14-7-8-26-17-6-3-11(19)9-13(14)17/h3-6,9-10H,7-8H2,1-2H3,(H2,20,22,25)/b21-14+

Standard InChI Key:  MNIYQOUUVLXEOX-KGENOOAVSA-N

Alternative Forms

1. Parent:

   

   ALA4457834

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 438.39

Molecular Weight (Monoisotopic): 439.0269

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References

1. Xu H, Su X, Liu XQ, Zhang KP, Hou Z, Guo C..  (2019)  Design, synthesis and biological evaluation of novel semicarbazone-selenochroman-4-ones hybrids as potent antifungal agents.,  29  (23): [PMID:31615700] [10.1016/j.bmcl.2019.126726]

Source

Source(1):

• Scientific Literature