ethyl 3-oxobenzo[d][1,2]selenazole-2(3H)-carboxylate

ID: ALA5290453

Chembl Id: CHEMBL5290453

Max Phase: Preclinical

Molecular Formula: C10H9NO3Se

Molecular Weight: 270.15

Names and Identifiers

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

Standard InChI:  InChI=1S/C10H9NO3Se/c1-2-14-10(13)11-9(12)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3

Standard InChI Key:  LAJAWMPAJLGWIY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5290453

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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: 270.15

Molecular Weight (Monoisotopic): 270.9748

AlogP:

#Rotatable Bonds:

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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