COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK418001
Chemical Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
Smiles: CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)C)C

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Molecular Weight: 465.62
Empirical Formula: C29H27N3OS

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 8.086
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 94
Number of rings: 5

     

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