COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK652181
Chemical Name: 2-{[4-cyclohexyl-5-(4-hydroxyphenyl)-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)c1ccc(cc1)O

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Molecular Weight: 465.57
Empirical Formula: C25H27N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.256
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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