COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473717
Chemical Name: dimethyl5-{[({5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzene-1,3-dicarboxylate
Smiles: C=CCn1c(SCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)nnc1COc1ccc(c(c1)C)Cl

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Molecular Weight: 545.02
Empirical Formula: C25H25ClN4O6S

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 6.327
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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