COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK420649
Chemical Name: 5-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitrobenzamide
Smiles: CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])(C)C

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Molecular Weight: 431.94
Empirical Formula: C21H22ClN3O3S

Physical State: Dry powder
Available Amount: 625 mg

Lipinsky:
logP: 7.228
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 3

     

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