COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421098
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-chloro-2-nitrobenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 417.92
Empirical Formula: C20H20ClN3O3S

Physical State: Dry powder
Available Amount: 2565 mg

Lipinsky:
logP: 6.089
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 3

     

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