COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK761874
Chemical Name: (1S,2S,5R)-2-[3-(2,4-dichlorophenyl)-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: C=CCn1c(nn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)c1ccc(cc1Cl)Cl

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Molecular Weight: 412.3
Empirical Formula: C17H15Cl2N3O3S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.085
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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