COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702901
Chemical Name: ethyl4-({[(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)CCc2ccc(c(c2)OC)OC)/C1=O

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Molecular Weight: 631.73
Empirical Formula: C32H29N3O7S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.161
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 171
Number of rings: 5

     

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