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

ID: ALA4524404

Chembl Id: CHEMBL4524404

PubChem CID: 155520086

Max Phase: Preclinical

Molecular Formula: C10H11FN4SSe

Molecular Weight: 317.25

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  NNC(=S)N/N=C1\CC[Se]c2ccc(F)cc21

Standard InChI:  InChI=1S/C10H11FN4SSe/c11-6-1-2-9-7(5-6)8(3-4-17-9)14-15-10(16)13-12/h1-2,5H,3-4,12H2,(H2,13,15,16)/b14-8+

Standard InChI Key:  NKALXHPFHTWPSH-RIYZIHGNSA-N

Alternative Forms

1. Parent:

   

   ALA4524404

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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: 317.25

Molecular Weight (Monoisotopic): 317.9854

AlogP:

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HBA:

HBD:

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HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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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