COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380682
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-[(5E)-5-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(cc2)C(C)C)C)/C1=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 517.61
Empirical Formula: C28H27N3O5S

Physical State: Dry powder
Available Amount: 602 mg

Lipinsky:
logP: 6.902
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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