COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017166
Chemical Name: 5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Smiles: C=CCn1c(S)nnc1c1cc(Cl)ccc1OC

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Molecular Weight: 281.77
Empirical Formula: C12H12ClN3OS

Physical State: Dry powder
Available Amount: 760 mg

Lipinsky:
logP: 4.187
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 78
Number of rings: 2

     

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