COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK939645
Chemical Name: N-1,3-benzodioxol-5-yl-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)NC1CCS(=O)(=O)C1)C

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Molecular Weight: 411.48
Empirical Formula: C18H25N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.841
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 131
Number of rings: 3

     

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