ID: ALA3309875

Max Phase: Preclinical

Molecular Formula: C25H25NO5STe

Molecular Weight: 579.14

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC1=C(SCCC(=O)OCC(=O)NCCC[Te]c2ccccc2)C(=O)c2ccccc2C1=O

Standard InChI:  InChI=1S/C25H25NO5STe/c1-17-23(29)19-10-5-6-11-20(19)24(30)25(17)32-14-12-22(28)31-16-21(27)26-13-7-15-33-18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3,(H,26,27)

Standard InChI Key:  SUQXITVMRWOPMJ-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: 579.14

Molecular Weight (Monoisotopic): 581.0516

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. Shaaban S, Sasse F, Burkholz T, Jacob C..  (2014)  Sulfur, selenium and tellurium pseudopeptides: synthesis and biological evaluation.,  22  (14): [PMID:24890655] [10.1016/j.bmc.2014.05.019]

Source

Source(1):

• Scientific Literature