COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630612
Chemical Name: methyl4-{(Z)-[3-(2-{[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]amino}-2-oxoethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)N[C@@H]1CSC[C@@H]1O

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Molecular Weight: 438.55
Empirical Formula: C18H18N2O5S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.662
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 178
Number of rings: 3

     

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