COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624155
Chemical Name: 2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C/c2ccc3c(c2)nccn3)/C1=O)C(=O)O

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Molecular Weight: 403.44
Empirical Formula: C17H13N3O5S2

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 0.346
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 178
Number of rings: 3

     

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