ID: ALA5287057

Max Phase: Preclinical

Molecular Formula: C28H24N2Se

Molecular Weight: 467.47

Representations

Canonical SMILES:  CCc1ccccc1-n1c(=[Se])n(C(c2ccccc2)c2ccccc2)c2ccccc21

Standard InChI:  InChI=1S/C28H24N2Se/c1-2-21-13-9-10-18-24(21)29-25-19-11-12-20-26(25)30(28(29)31)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-20,27H,2H2,1H3

Standard InChI Key:  SUSNEUSZWHDEMB-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: 467.47

Molecular Weight (Monoisotopic): 468.1105

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