COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040922
Chemical Name: 1-(3,4-dihydroxyphenyl)-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(c(c2)O)O)nnc1c1cccc(c1)OC

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 4.955
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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