ID: ALA5272463

Max Phase: Preclinical

Molecular Formula: C12H19NO3Te

Molecular Weight: 352.89

Representations

Canonical SMILES:  COc1cc([Te]CC(C)N)cc(OC)c1OC

Standard InChI:  InChI=1S/C12H19NO3Te/c1-8(13)7-17-9-5-10(14-2)12(16-4)11(6-9)15-3/h5-6,8H,7,13H2,1-4H3

Standard InChI Key:  AKHNXNYNHUXRHB-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: 352.89

Molecular Weight (Monoisotopic): 355.0427

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. Provensi G, Costa A, Rani B, Becagli MV, Vaiano F, Passani MB, Tanini D, Capperucci A, Carradori S, Petzer JP, Petzer A, Vullo D, Costantino G, Blandina P, Angeli A, Supuran CT..  (2022)  New β-arylchalcogeno amines with procognitive properties targeting Carbonic Anhydrases and Monoamine Oxidases.,  244  [PMID:36244185] [10.1016/j.ejmech.2022.114828]

Source

Source(1):

• Scientific Literature