COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177651
Chemical Name: 2-(3-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: C#CCN1C(=O)S/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O

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Molecular Weight: 421.54
Empirical Formula: C22H19N3O2S2

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 5.259
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 119
Number of rings: 4

     

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