COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810967
Chemical Name: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3c[nH]nc3c3ccccc3)/C2=O)ccc1OC

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Molecular Weight: 451.57
Empirical Formula: C23H21N3O3S2

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 3.804
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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