COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217677
Chemical Name: 3-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}cyclohex-2-en-1-one
Smiles: CSc1nc([nH]n1)NC1=CC(=O)CCC1

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Molecular Weight: 224.29
Empirical Formula: C9H12N4OS

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 0.925
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 95
Number of rings: 2

     

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