COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK611043
Chemical Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-{3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl}-2-thioxo-1,3-thiazolidin-4-one
Smiles: OCCC1CCCCN1C(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 448.56
Empirical Formula: C21H24N2O5S2

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 2.128
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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