COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK497676
Chemical Name: 1-(4-methoxy-2,5-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2cc(C)c(cc2C)OC)nnc1c1cccnc1

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Molecular Weight: 394.5
Empirical Formula: C21H22N4O2S

Physical State: Dry powder
Available Amount: 358 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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