COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374819
Chemical Name: 5-{[(2E,5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}-2-chlorobenzoicacid
Smiles: CN1/C(=N\c2ccc(c(c2)C(=O)O)Cl)/S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 416.84
Empirical Formula: C19H13ClN2O5S

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 4.691
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 4

     

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