COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272235
Chemical Name: methyl4-{[(3-{[(4-chlorophenyl)amino]methyl}-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1nc(n(c1=S)c1ccccc1)CNc1ccc(cc1)Cl

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Molecular Weight: 508
Empirical Formula: C25H22ClN5O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.66
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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