COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841531
Chemical Name: ethyl{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)C#N

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Molecular Weight: 437.35
Empirical Formula: C20H18Cl2N2O3S

Physical State: Dry powder
Available Amount: 374 mg

Lipinsky:
logP: 4.066
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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