COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085143
Chemical Name: 1-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccncc1

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Molecular Weight: 386.9
Empirical Formula: C19H19ClN4OS

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 5.382
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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