COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885956
Chemical Name: dimethyl2-[({[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)NC2=C(C1c1ccc(cc1)F)C(=O)CCC2

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Molecular Weight: 549.58
Empirical Formula: C28H24FN3O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.672
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 159
Number of rings: 4

     

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