COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037145
Chemical Name: 3-[(5Z)-5-{[1-(3,4-dichlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=S)S/C(=C\c2c3ccccc3n(c2C)Cc2ccc(c(c2)Cl)Cl)/C1=O

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Molecular Weight: 553.49
Empirical Formula: C27H18Cl2N2O3S2

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 7.686
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 5

     

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