ID: ALA4171524

Max Phase: Preclinical

Molecular Formula: C12H17NO2SSe

Molecular Weight: 318.30

Molecule Type: Small molecule

Representations

Canonical SMILES:  NS(=O)(=O)c1ccc([Se]C2CCCCC2)cc1

Standard InChI:  InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)

Standard InChI Key:  IGTNDRSNATZZDO-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: 318.30

Molecular Weight (Monoisotopic): 319.0145

AlogP:

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HBA:

HBD:

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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