COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK761873
Chemical Name: (1S,2S,5R)-2-[3-(2-chlorobenzyl)-5,6-dimethyl-2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1c(=S)n(c2c1cc(C)c(c2)C)Cc1ccccc1Cl

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Molecular Weight: 428.94
Empirical Formula: C22H21ClN2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.23
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 74
Number of rings: 5

     

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