ID: ALA5281090

Max Phase: Preclinical

Molecular Formula: C20H23NSe

Molecular Weight: 356.37

Representations

Canonical SMILES:  [Se]=C=NCCCCCCC1Cc2cccc3cccc(c23)C1

Standard InChI:  InChI=1S/C20H23NSe/c22-15-21-12-4-2-1-3-7-16-13-18-10-5-8-17-9-6-11-19(14-16)20(17)18/h5-6,8-11,16H,1-4,7,12-14H2

Standard InChI Key:  AUQAPKZQZHCYIW-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: 356.37

Molecular Weight (Monoisotopic): 357.0996

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