COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450286
Chemical Name: 3,3-dimethyl-1-{5-[(3-nitrophenyl)amino]-1,2,4-thiadiazol-3-yl}butan-2-one
Smiles: O=C(C(C)(C)C)Cc1nsc(n1)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 320.37
Empirical Formula: C14H16N4O3S

Physical State: Dry powder
Available Amount: 374 mg

Lipinsky:
logP: 3.308
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 2

     

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