COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK419424
Chemical Name: 4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide
Smiles: CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)CCCOc1ccc(cc1C)Cl)(C)C

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Molecular Weight: 459.05
Empirical Formula: C25H31ClN2O2S

Physical State: Dry powder
Available Amount: 933 mg

Lipinsky:
logP: 7.719
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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