ID: ALA4289647

Max Phase: Preclinical

Molecular Formula: C14H8N4OSSe

Molecular Weight: 359.27

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C(Nc1nc2ccccc2s1)c1ccc2n[se]nc2c1

Standard InChI:  InChI=1S/C14H8N4OSSe/c19-13(8-5-6-9-11(7-8)18-21-17-9)16-14-15-10-3-1-2-4-12(10)20-14/h1-7H,(H,15,16,19)

Standard InChI Key:  SZWFSYIJOXIHEH-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 359.27

Molecular Weight (Monoisotopic): 359.9584

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. Ruberte AC, Plano D, Encío I, Aydillo C, Sharma AK, Sanmartín C..  (2018)  Novel selenadiazole derivatives as selective antitumor and radical scavenging agents.,  157  [PMID:30071406] [10.1016/j.ejmech.2018.07.063]

Source

Source(1):

• Scientific Literature