COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL364840
Chemical Name: 2-({4-bromo-2-[(Z)-{(2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}methyl)benzonitrile
Smiles: CCN1/C(=N/c2ccc(cc2)OC)/S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)/C1=O

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Molecular Weight: 548.46
Empirical Formula: C27H22BrN3O3S

Physical State: Dry powder
Available Amount: 920 mg

Lipinsky:
logP: 6.984
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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