ID: ALA5276155

Max Phase: Preclinical

Molecular Formula: C20H14N4OSe

Molecular Weight: 405.32

Representations

Canonical SMILES:  COc1ccc(-c2nc3ccc(-c4ccc5n[se]nc5c4)cc3[nH]2)cc1

Standard InChI:  InChI=1S/C20H14N4OSe/c1-25-15-6-2-12(3-7-15)20-21-16-8-4-13(10-18(16)22-20)14-5-9-17-19(11-14)24-26-23-17/h2-11H,1H3,(H,21,22)

Standard InChI Key:  QQAUZLDTNQGYLX-UHFFFAOYSA-N

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

Properties

Molecular Weight: 405.32

Molecular Weight (Monoisotopic): 406.0333

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