COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090792
Chemical Name: (2E)-N-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
Smiles: O=C(Nc1nnc(s1)SCc1c(C)cc(c(c1C)C(=O)C)C)/C=C/c1ccccc1

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Molecular Weight: 437.59
Empirical Formula: C23H23N3O2S2

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 6.158
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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