COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186974
Chemical Name: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1COc1c(C)cccc1C

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 5.368
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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