COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK707400
Chemical Name: 5-(azepan-1-yl)-2-{(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCCCCC1)/C=C\1/SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2

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Molecular Weight: 468.56
Empirical Formula: C22H20N4O4S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.374
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 149
Number of rings: 5

     

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