COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823375
Chemical Name: ethyl(1-{3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-3-oxopiperazin-2-yl)acetate
Smiles: CCOC(=O)CC1C(=O)NCCN1C(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)C(C)(C)C)/C1=O

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Molecular Weight: 517.67
Empirical Formula: C25H31N3O5S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 2.118
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 3

     

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