COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806947
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nnc(s2)SCC(=O)c2ccccc2)ccc1OC

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Molecular Weight: 441.53
Empirical Formula: C21H19N3O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.86
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 143
Number of rings: 3

     

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