COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK940755
Chemical Name: (2E)-N-[(2E)-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1n[nH]/c(=N\C(=O)/C=C/c2ccccc2)/s1

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Molecular Weight: 438.57
Empirical Formula: C22H22N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.494
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 133
Number of rings: 3

     

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