ID: ALA5270251

Max Phase: Preclinical

Molecular Formula: C22H20O3Se

Molecular Weight: 411.36

Representations

Canonical SMILES:  Cc1cccc([Se]C2CC3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1

Standard InChI:  InChI=1S/C22H20O3Se/c1-13-7-6-8-14(11-13)26-18-12-17-20(24)19(23)15-9-4-5-10-16(15)21(17)25-22(18,2)3/h4-11,18H,12H2,1-3H3

Standard InChI Key:  GESGIRNJGOIWNC-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: 411.36

Molecular Weight (Monoisotopic): 412.0578

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. Alcolea V, Pérez-Silanes S..  (2020)  Selenium as an interesting option for the treatment of Chagas disease: A review.,  206  [PMID:32810750] [10.1016/j.ejmech.2020.112673]

Source

Source(1):

• Scientific Literature