COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111233
Chemical Name: 2-{[(5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzonitrile
Smiles: N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O

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Molecular Weight: 457.51
Empirical Formula: C25H19N3O4S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 5.311
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 109
Number of rings: 5

     

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