COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056540
Chemical Name: 4-({[4-ammonio-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: Clc1ccc(c(c1)Cl)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

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Molecular Weight: 395.27
Empirical Formula: C16H12Cl2N4O2S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 4.753
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 123
Number of rings: 3

     

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