COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205721
Chemical Name: 2-{[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)butanamide
Smiles: CCC(C(=O)Nc1nccs1)Sc1nnc(n1CC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 418.5
Empirical Formula: C17H18N6O3S2

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 4.919
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 172
Number of rings: 3

     

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