ID: ALA4176433

Max Phase: Preclinical

Molecular Formula: C8H11NO3SSe

Molecular Weight: 280.21

Molecule Type: Small molecule

Representations

Canonical SMILES:  NS(=O)(=O)c1ccc([Se]CCO)cc1

Standard InChI:  InChI=1S/C8H11NO3SSe/c9-13(11,12)7-1-3-8(4-2-7)14-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)

Standard InChI Key:  PHKYJIORMBYNFE-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: 280.21

Molecular Weight (Monoisotopic): 280.9625

AlogP:

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HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

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CX Acidic pKa:

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CX LogP:

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References

1. Angeli A, di Cesare Mannelli L, Trallori E, Peat TS, Ghelardini C, Carta F, Supuran CT..  (2018)  Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology.,  9  (5): [PMID:29795760] [10.1021/acsmedchemlett.8b00076]

Source

Source(1):

• Scientific Literature