ID: ALA4867768

Max Phase: Preclinical

Molecular Formula: C11H9Cl2F3N2OS2

Molecular Weight: 377.24

Molecule Type: Unknown

Representations

Canonical SMILES:  CC.FC(F)(F)Oc1ccc(/N=c2\ssnc2Cl)cc1Cl

Standard InChI:  InChI=1S/C9H3Cl2F3N2OS2.C2H6/c10-5-3-4(15-8-7(11)16-19-18-8)1-2-6(5)17-9(12,13)14;1-2/h1-3H;1-2H3/b15-8-;

Standard InChI Key:  MLZUYLRPWGRHEE-ZTXYIFKNSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 377.24

Molecular Weight (Monoisotopic): 375.9485

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. Maffuid KA, Koyioni M, Torrice CD, Murphy WA, Mewada HK, Koutentis PA, Crona DJ, Asquith CRM..  (2021)  Design and evaluation of 1,2,3-dithiazoles and fused 1,2,4-dithiazines as anti-cancer agents.,  43  [PMID:33951490] [10.1016/j.bmcl.2021.128078]

Source

Source(1):

• Scientific Literature