COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK419432
Chemical Name: (2E)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-nitrophenyl)prop-2-enamide
Smiles: CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])(C)C

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Molecular Weight: 423.54
Empirical Formula: C23H25N3O3S

Physical State: Dry powder
Available Amount: 2175 mg

Lipinsky:
logP: 7.373
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 3

     

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