COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK497760
Chemical Name: 4-({[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 404.45
Empirical Formula: C21H16N4O3S

Physical State: Dry powder
Available Amount: 329 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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