COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807035
Chemical Name: (2E)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nnc(s2)SCC(=O)c2ccccc2)cc(c1OC)OC

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Molecular Weight: 471.56
Empirical Formula: C22H21N3O5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 3

     

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