COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623897
Chemical Name: 2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoicacid
Smiles: OC(=O)C(N1C(=S)S/C(=C/c2ccc3c(c2)nccn3)/C1=O)Cc1ccccc1

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Molecular Weight: 421.5
Empirical Formula: C21H15N3O3S2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.964
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 140
Number of rings: 4

     

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