COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994333
Chemical Name: (5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CCC(=O)N1CCCCCC1

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Molecular Weight: 418.54
Empirical Formula: C20H22N2O4S2

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 3.376
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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