COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK649419
Chemical Name: 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Smiles: COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(n1C1CCCCC1)c1ccccc1

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Molecular Weight: 449.57
Empirical Formula: C25H27N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.621
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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