6-fluoroselenochroman-4-one

ID: ALA4454517

Chembl Id: CHEMBL4454517

PubChem CID: 132277885

Max Phase: Preclinical

Molecular Formula: C9H7FOSe

Molecular Weight: 229.11

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=C1CC[Se]c2ccc(F)cc21

Standard InChI:  InChI=1S/C9H7FOSe/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

Standard InChI Key:  BWZZNDGRPDXGGK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4454517

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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: 229.11

Molecular Weight (Monoisotopic): 229.9646

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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Np Likeness Score:

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