COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134093
Chemical Name: 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)butanamide
Smiles: CCC(C(=O)Nc1cccc(c1)[N+](=O)[O-])Sc1nnc(n1CC)c1ccncc1

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Molecular Weight: 412.47
Empirical Formula: C19H20N6O3S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 4.407
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 3

     

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