COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116420
Chemical Name: (2E)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nnc(s1)CC(C)(C)C)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 346.41
Empirical Formula: C16H18N4O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 4.061
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 2

     

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