COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809190
Chemical Name: 4-[(E)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenylnaphthalene-1-carboxylate
Smiles: CCCCN1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2cccc3c2cccc3)/C1=O

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Saltdata: acetate
Molecular Weight: 447.58
Empirical Formula: C25H21NO3S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.065
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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