COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367855
Chemical Name: methyl4-{2-methoxy-4-[(E)-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(=O)OC)/C=C\1/SC(=S)N(C1=O)c1ccccc1

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Molecular Weight: 522.56
Empirical Formula: C25H18N2O7S2

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 4.742
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 168
Number of rings: 4

     

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