COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK734313
Chemical Name: 1-(2,4-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2C)C)nnc1c1cccc(c1)OC

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Molecular Weight: 393.51
Empirical Formula: C22H23N3O2S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 6.256
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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