COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK295212
Chemical Name: N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]carbamothioyl}-2-nitrobenzamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])NCc1ccc(cc1)c1nn2c(s1)nnc2C

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Molecular Weight: 453.51
Empirical Formula: C19H15N7O3S2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 2.831
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 190
Number of rings: 4

     

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