COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245960
Chemical Name: 4-({[(5-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: COc1ccccc1NC(=O)Cc1nnc(n1C)SCC(=O)Nc1ccc(cc1)C(=O)O

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Saltdata: HCl
Molecular Weight: 455.49
Empirical Formula: C21H21N5O5S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 2.812
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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