COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK428893
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}quinoline-4-carboxamide
Smiles: CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)C

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Molecular Weight: 545.66
Empirical Formula: C33H27N3O3S

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 8.226
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 6

     

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