COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821717
Chemical Name: 4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl4-methylbenzoate
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3ccc(cc3)C)/C2=O)ccc1OC

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Molecular Weight: 519.64
Empirical Formula: C28H25NO5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.629
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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