COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK625595
Chemical Name: 4-(methylsulfanyl)-2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C/c2ccc3c(c2)nccn3)/C1=O)C(=O)O

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Molecular Weight: 405.52
Empirical Formula: C17H15N3O3S3

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.153
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 166
Number of rings: 3

     

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