COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398752
Chemical Name: N-{[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl}-3-nitro-4-(piperidin-1-yl)benzamide
Smiles: CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)C

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Molecular Weight: 550.67
Empirical Formula: C25H26N8O3S2

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 6.523
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 193
Number of rings: 5

     

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