COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628227
Chemical Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
Smiles: CN1CCN(CC1)C(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 389.43
Empirical Formula: C18H19N3O5S

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 2.232
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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