COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839333
Chemical Name: ethyl({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)OCc1ccccc1

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Molecular Weight: 474.58
Empirical Formula: C27H26N2O4S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.571
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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