COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056889
Chemical Name: 4-({[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: C=CCn1c(nnc1COc1ccccc1)SCc1ccc(cc1)C#N

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Molecular Weight: 362.46
Empirical Formula: C20H18N4OS

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 4.357
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 89
Number of rings: 3

     

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