ID: ALA5284696

Max Phase: Preclinical

Molecular Formula: C16H14N2O3Se

Molecular Weight: 361.26

Representations

Canonical SMILES:  Cc1ccc(NC(=[Se])NC(=O)c2ccc3c(c2)OCO3)cc1

Standard InChI:  InChI=1S/C16H14N2O3Se/c1-10-2-5-12(6-3-10)17-16(22)18-15(19)11-4-7-13-14(8-11)21-9-20-13/h2-8H,9H2,1H3,(H2,17,18,19,22)

Standard InChI Key:  ISZZZUADWPJVOT-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: 361.26

Molecular Weight (Monoisotopic): 362.0170

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