COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047475
Chemical Name: methyl4-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1Cl)Cl

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Molecular Weight: 407.28
Empirical Formula: C17H12Cl2N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.276
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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