COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821692
Chemical Name: 4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl4-tert-butylbenzoate
Smiles: COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2ccc(cc2)C(C)(C)C)/C1=O

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Molecular Weight: 561.72
Empirical Formula: C31H31NO5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.858
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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