COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182155
Chemical Name: 3-[({[5-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1cccc(c1)SC

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Molecular Weight: 497.6
Empirical Formula: C23H23N5O4S2

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 4.845
Rotatable bonds: 10
H-donors: 3
H-acceptors: 4
PSA: 176
Number of rings: 3

     

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