COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111868
Chemical Name: 2-(3-{(E)-[3-(2-cyanobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O

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Molecular Weight: 498.63
Empirical Formula: C27H22N4O2S2

Physical State: Dry powder
Available Amount: 464 mg

Lipinsky:
logP: 6.05
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 143
Number of rings: 5

     

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