COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK579898
Chemical Name: 4-[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Smiles: C=CCn1c(nnc1COc1ccc(cc1)Cl)SCc1ccc(cc1)C#N

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Molecular Weight: 396.9
Empirical Formula: C20H17ClN4OS

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.044
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 89
Number of rings: 3

     

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