COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447774
Chemical Name: methyl(2Z)-[5-(azepan-1-yl)-4-cyano-3-oxothiophen-2(3H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\SC(=C(C1=O)C#N)N1CCCCCC1

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Molecular Weight: 292.36
Empirical Formula: C14H16N2O3S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 1.75
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 95
Number of rings: 2

     

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