2-acetylbenzo[d][1,2]selenazol-3(2H)-one

ID: ALA5274791

Chembl Id: CHEMBL5274791

Max Phase: Preclinical

Molecular Formula: C9H7NO2Se

Molecular Weight: 240.12

Names and Identifiers

Canonical SMILES:  CC(=O)n1[se]c2ccccc2c1=O

Standard InChI:  InChI=1S/C9H7NO2Se/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5H,1H3

Standard InChI Key:  YWIZSSXPKAGKQX-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5274791

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 240.12

Molecular Weight (Monoisotopic): 240.9642

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M..  (2021)  Small molecule selenium-containing compounds: Recent development and therapeutic applications.,  223  [PMID:34217061] [10.1016/j.ejmech.2021.113621]

Source

Source(1):

• Scientific Literature