COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK230251
Chemical Name: ethyl4-[({[5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CC(=O)Nc1ccc(cc1C)C

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Molecular Weight: 507.61
Empirical Formula: C26H29N5O4S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.712
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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