COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219131
Chemical Name: ethyl4-{[({5-[(2,5-dimethylphenoxy)methyl]-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)nnc1COc1cc(C)ccc1C

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Molecular Weight: 480.59
Empirical Formula: C25H28N4O4S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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