COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157385
Chemical Name: 2-{[4-(3-{(Z)-[3-(butan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]methyl}benzonitrile
Smiles: CCC(N1C(=O)S/C(=C\c2cc(n(c2C)c2ccc(cc2)OCc2ccccc2C#N)C)/C1=O)C

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Molecular Weight: 485.61
Empirical Formula: C28H27N3O3S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 6.6
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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