COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702397
Chemical Name: (3Z)-1-benzyl-5-bromo-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc(cc1OC)CCN1C(=S)S/C(=C/2\C(=O)N(c3c2cc(Br)cc3)Cc2ccccc2)/C1=O

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Molecular Weight: 595.54
Empirical Formula: C28H23BrN2O4S2

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 4.543
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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