COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622334
Chemical Name: 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]propanamide
Smiles: O=C(N[C@@H]1CSC[C@@H]1O)CCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 438.55
Empirical Formula: C18H18N2O5S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.805
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 4

     

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